CAS 30131-16-9

Chemistry, 2 End Use API, 10 Related Intermediates

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Also known as: 30131-16-9, Benzoic acid, 4-(4-phenylbutoxy)-, 4-(4-phenylbutoxy)-benzoic acid, Mfcd07787608, P-(phenylbutoxy)benzoic acid, 4-(4-phenylbutoxy)benzoicacid

Molecular Formula

C₁₇H₁₈O₃

Molecular Weight

270.32 g/mol

InChI Key

XWCWFMQMZZPALR-UHFFFAOYSA-N

1 2D Structure

CAS 30131-16-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-phenylbutoxy)benzoic acid

2.1.2 InChI

InChI=1S/C17H18O3/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)

2.1.3 InChI Key

XWCWFMQMZZPALR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 30131-16-9

2. Benzoic Acid, 4-(4-phenylbutoxy)-

3. 4-(4-phenylbutoxy)-benzoic Acid

4. Mfcd07787608

5. P-(phenylbutoxy)benzoic Acid

6. 4-(4-phenylbutoxy)benzoicacid

7. P-(4-phenylbutoxy)benzoic Acid

8. Schembl2312866

9. 4-(4-phenyl Butoxy)benzoic Acid

10. Dtxsid30453146

11. 4-(4-phenylbutyloxy)benzoic Acid

12. 4-(4-phenyl Butoxy) Benzoic Acid

13. Amy13481

14. Bcp12462

15. Zinc40434025

16. Akos015914927

17. Cs-w012381

18. Ds-18357

19. Sy035747

20. Db-047713

21. Ft-0638906

22. P1997

23. A25198

24. D70470

25. 131p169

26. 4-(4-phenylbutoxy)benzoic Acid (intermediate Of Pranlukast);p-phenylbutoxybenzoic Acid

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈O₃
Molecular Weight	270.32 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	270.125594432 g/mol
Monoisotopic Mass	270.125594432 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	276
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Allchem Laboratories

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Pranlukast Hydrate

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CAS Number

30131-16-9

Intermediate Name

4-(4-Phenylbutoxy)benzoic acid

About the Company

Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...

Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).

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Pranlukast Hydrate

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CAS Number

30131-16-9

Intermediate Name

4-(4-Phenylbutoxy)benzoic acid

About the Company

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.

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