CAS 219823-47-9

Chemistry, 2 End Use API, 87 Related Intermediates

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Also known as: 219823-47-9, (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate, A4fnd4p2ym, [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate, (r)-toluene-4-sulfonic acid tetrahydrofuran-3-yl ester, (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

Molecular Formula

C₁₁H₁₄O₄S

Molecular Weight

242.29 g/mol

InChI Key

WWCNXHYRAKUQDB-SNVBAGLBSA-N

FDA UNII

A4FND4P2YM

1 2D Structure

CAS 219823-47-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3R)-oxolan-3-yl] 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m1/s1

2.1.3 InChI Key

WWCNXHYRAKUQDB-SNVBAGLBSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCOC2

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCOC2

2.2 Other Identifiers

2.2.1 UNII

A4FND4P2YM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 219823-47-9

2. (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate

3. A4fnd4p2ym

4. [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate

5. (r)-toluene-4-sulfonic Acid Tetrahydrofuran-3-yl Ester

6. (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

7. 4-methylbenzenesulfonic Acid (3r)-oxolan-3-yl Ester

8. Tetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3r)-

9. 3-furanol, Tetrahydro-, 3-(4-methylbenzenesulfonate), (3r)-

10. Mfcd27947543

11. Unii-a4fnd4p2ym

12. Schembl507364

13. Zinc34165052

14. Ac-29063

15. Bs-16642

16. Cs-0106178

17. R)-3-(p-toluenesulfonyl) Oxytetrahydrofuran

18. (3r)-oxolan-3-yl4-methylbenzene-1-sulfonate

19. (r)-tetrahydrofuran-3-yl4-methylbenzenesulfonate

20. (r)-3-(4-methylphenylsulfonyloxy)-tetrahydrofuran

21. (r)-tetrahydrofuran-3-yl-4-methylbenzenesulfonate

22. (r)-3-(4-methylphenyl-sulfonyloxy)-tetrahydrofuran

23. (r)-3-[(4-methylphenyl)sulphonyloxy]-tetrahydrofuran

24. [(3r)-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate

25. P-toluenesulfonic Acid (r)-tetrahydrofuran-3-yl Ester

26. (r)-toluene-4-sulfonic Acid Tetrahydro-furan-3-yl Ester

27. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl) Ester

28. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl)ester

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O₄S
Molecular Weight	242.29 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	242.06128010 g/mol
Monoisotopic Mass	242.06128010 g/mol
Topological Polar Surface Area	61 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Aarti Pharmalabs

Aarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

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CAS Number

219823-47-9

Intermediate Name

(R)-tetrahydrofuran-3-yl 4-methyl b...

About the Company

Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...

Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

Note: None of the products will be supplied to countries in which this could be in conflict with existing patents. Further, any products under patent will be offered for R&D purposes only. However, the final responsibility lies with the buyer.

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Kimia Biosciences

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CAS Number
219823-47-9

Intermediate Name
(R)-3-(4-methylphenylsulfonyloxy)-t...

About the Company
Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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