CAS 165115-73-1

Chemistry, 2 End Use API, 50 Related Intermediates

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Also known as: 165115-73-1, 2-(2-(2,4-difluorophenyl)allyl)propane-1,3-diol, 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-, 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol, 2-2-(2,4-difluoro-phenyl)-allyl-propane-1,3-diol, 2-[2-(2,4-difluorophenyl)prop-2-en-1-yl]propane-1,3-diol

Molecular Formula

C₁₂H₁₄F₂O₂

Molecular Weight

228.23 g/mol

InChI Key

WOLIKRXEOQATPC-UHFFFAOYSA-N

1 2D Structure

CAS 165115-73-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol

2.1.2 InChI

InChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2

2.1.3 InChI Key

WOLIKRXEOQATPC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=C(CC(CO)CO)C1=C(C=C(C=C1)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 165115-73-1

2. 2-(2-(2,4-difluorophenyl)allyl)propane-1,3-diol

3. 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-

4. 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol

5. 2-2-(2,4-difluoro-phenyl)-allyl-propane-1,3-diol

6. 2-[2-(2,4-difluorophenyl)prop-2-en-1-yl]propane-1,3-diol

7. 2-(2-(2,4-difluorophenyl)prop-2-en-1-yl)propane-1,3-diol

8. Posaconazole Intermediate-7

9. Ec 605-390-1

10. Schembl12186064

11. Dtxsid30453909

12. 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propenyl]-

13. Amy14819

14. Bcp13096

15. Zinc34623871

16. Akos015912312

17. Ac-8490

18. Sb34124

19. As-75728

20. D92910

21. 115p731

22. 2-[2-(2,4-difluoro-phenyl)-allyl]-propane-1,3-diol

23. 2-[2-(2,4-difluorophenyl)-2-propenyl]-1,3-propanediol

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄F₂O₂
Molecular Weight	228.23 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	228.09618601 g/mol
Monoisotopic Mass	228.09618601 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	229
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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Jinan Tantu Chemicals

Jinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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CAS Number

165115-73-1

Intermediate Name

1,3-Propanediol, 2-[2-(2,4-Difluoro...

About the Company

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.

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CAS Number

165115-73-1

Intermediate Name

2-[2-(2,4-Difluorophenyl)-2-propen-...

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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