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CAS 915095-84-0

Chemistry, 4 End Use API, 85 Related Intermediates

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Also known as: 915095-84-0, U6vk5xr83j, (s)-(5-bromo-2-chlorophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone, Schembl2864061, (5-bromo-2-chlorophenyl)-(4-((3s)-oxolan-3-yl)oxyphenyl)methanone, Methanone, (5-bromo-2-chlorophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)-

Molecular Formula

C₁₇H₁₄BrClO₃

Molecular Weight

381.6 g/mol

InChI Key

DGMVPGOZCCHBQI-AWEZNQCLSA-N

FDA UNII

U6VK5XR83J

1 2D Structure

CAS 915095-84-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone

2.1.2 InChI

InChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1

2.1.3 InChI Key

DGMVPGOZCCHBQI-AWEZNQCLSA-N

2.1.4 Canonical SMILES

C1COCC1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)Br)Cl

2.1.5 Isomeric SMILES

C1COC[C@H]1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)Br)Cl

2.2 Other Identifiers

2.2.1 UNII

U6VK5XR83J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 915095-84-0

2. U6vk5xr83j

3. (s)-(5-bromo-2-chlorophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone

4. Schembl2864061

5. (5-bromo-2-chlorophenyl)-(4-((3s)-oxolan-3-yl)oxyphenyl)methanone

6. Methanone, (5-bromo-2-chlorophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)-

7. Unii-u6vk5xr83j

8. Empagliflozin 5-bromo Keto Analog

9. Ac-29162

10. Ak144267

11. Db-092433

12. Cs-0166100

13. F75628

14. (5-bromo-2-chlorophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)methanone

15. (s)-(5-bromo-2-chlorophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone? (empagliflozin Impurity

2.4 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄BrClO₃
Molecular Weight	381.6 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	379.98148 g/mol
Monoisotopic Mass	379.98148 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	384
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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Digital Content

(S)-3-Hydroxytetrahydrofuran

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CAS Number

86087-23-2

End Use API

Empagliflozin

About the Company

Based on the excellent enzymatic technology platform, Enzymaster Chemical applies innovative technology t...

Based on the excellent enzymatic technology platform, Enzymaster Chemical applies innovative technology to realize its commercial production of chiral compounds.As a wholly-owned subsidiary of Enzymaster®, we think globally and devote to supply high quality chemical products, which are sustainable supply, with eco-friendly process and competitive price.Meanwhile, we provide domestic and overseas customers biocatalytic custom synthesis serves.

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