Prajna Generics

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

149809-43-8

End Use API

Posaconazole

About the Company

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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