Shanghai Minbiotech

CAS 192448-07-0

Chemistry, 1 End Use API, 51 Related Intermediates

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Also known as: 192448-07-0, (s)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-en-1-yl isobutyrate, [(2s)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] 2-methylpropanoate, Schembl14316705, Zinc36407670, Akos037647677

Molecular Formula

C₁₆H₂₀F₂O₃

Molecular Weight

298.32 g/mol

InChI Key

JACXDHBRMMEIGY-LBPRGKRZSA-N

1 2D Structure

CAS 192448-07-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] 2-methylpropanoate

2.1.2 InChI

InChI=1S/C16H20F2O3/c1-10(2)16(20)21-9-12(8-19)6-11(3)14-5-4-13(17)7-15(14)18/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3/t12-/m0/s1

2.1.3 InChI Key

JACXDHBRMMEIGY-LBPRGKRZSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CC(C)C(=O)OC[C@@H](CC(=C)C1=C(C=C(C=C1)F)F)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 192448-07-0

2. (s)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-en-1-yl Isobutyrate

3. [(2s)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] 2-methylpropanoate

4. Schembl14316705

5. Zinc36407670

6. Akos037647677

7. As-74471

8. Cs-0059726

9. W16835

10. (s)-4-(2,4-fluorophenyl)-2-(hydroxy Methyl)pent-4-en-1-yl Isobutyrate

11. (s)-4-(2,4-fluorophenyl)-2-(hydroxymethyl)pent-4-en-1-ylisobutyrate

12. (2s)-2-[2-(2,4-difluorophenyl)prop-2-en-1-yl]-3-hydroxypropyl 2-methylpropanoate

2.3 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀F₂O₃
Molecular Weight	298.32 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	298.13805082 g/mol
Monoisotopic Mass	298.13805082 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	357
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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CAS Number

184177-83-1

End Use API

Posaconazole

About the Company

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.