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CAS 530084-79-8

Chemistry, 2 End Use API, 8 Related Intermediates

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Also known as: 530084-79-8, 8-benzyloxy-5-((r)-2-bromo-1-hydroxyethyl)-1h-quinolinone, 5-[(1r)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1h-quinolin-2-one, (r)-8-(benzyloxy)-5-(2-bromo-1-hydroxyethyl)-quinolin-2(1h)-one, Schembl99134, Dtxsid70468138

Molecular Formula

C₁₈H₁₆BrNO₃

Molecular Weight

374.2 g/mol

InChI Key

GNFMSZCSSUZAGV-HNNXBMFYSA-N

1 2D Structure

CAS 530084-79-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C18H16BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,20,22)/t15-/m0/s1

2.1.3 InChI Key

GNFMSZCSSUZAGV-HNNXBMFYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)C(CBr)O)C=CC(=O)N3

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)[C@H](CBr)O)C=CC(=O)N3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 530084-79-8

2. 8-benzyloxy-5-((r)-2-bromo-1-hydroxyethyl)-1h-quinolinone

3. 5-[(1r)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1h-quinolin-2-one

4. (r)-8-(benzyloxy)-5-(2-bromo-1-hydroxyethyl)-quinolin-2(1h)-one

5. Schembl99134

6. Dtxsid70468138

7. Amy16604

8. Mfcd20484048

9. Zinc77032083

10. 5-[(1r)-2-bromo-1-hydroxyethyl]-8-(phenylmethoxy)-2(1h)-quinolinone

11. Akos015999468

12. Ac-30182

13. Ds-17826

14. Cs-0156168

15. 8-benzyloxy-5-[(r)-(2-bromo-1-hydroxyethyl)]-carbostyril

16. 8-benzyloxy-5-((r)-2-bromo-1-hyroxyethyl)-1h-quinolin-2-one

17. 8-(benzyloxy)-5-[(1r)-2-bromo-1-hydroxyethyl]quinolin-2(1h)-one

18. 8-benzyloxy-5-((r)-2-bromo -1-hyroxyethyl)-1h-quinolin-2-one

19. 8-benzyloxy-5-((r)-2-bromo-1-hydroxyethyl)-1h-quinolin-2-one

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₆BrNO₃
Molecular Weight	374.2 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	373.03136 g/mol
Monoisotopic Mass	373.03136 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	436
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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5-acetyl-8-hydroxy-1H-quinolin-2-one

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CAS Number

62978-73-8

End Use API

Indacaterol Maleate

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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