Shenzhen Hwagen Pharmaceutical

CAS 886230-75-7

Chemistry, 1 End Use API, 18 Related Intermediates

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Also known as: 886230-75-7, (e)-6-nitro-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2h-pyran-2-yl)-1h-indazole, Axitinib intermediate 2, Schembl4065872, Schembl4065875, Amy7044

Molecular Formula

C₁₉H₁₈N₄O₃

Molecular Weight

350.4 g/mol

InChI Key

BKXMYFOISYYOLE-JXMROGBWSA-N

1 2D Structure

CAS 886230-75-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-nitro-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole

2.1.2 InChI

InChI=1S/C19H18N4O3/c24-23(25)15-8-9-16-17(10-7-14-5-1-3-11-20-14)21-22(18(16)13-15)19-6-2-4-12-26-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-7+

2.1.3 InChI Key

BKXMYFOISYYOLE-JXMROGBWSA-N

2.1.4 Canonical SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)C=CC4=CC=CC=N4

2.1.5 Isomeric SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)/C=C/C4=CC=CC=N4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 886230-75-7

2. (e)-6-nitro-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2h-pyran-2-yl)-1h-indazole

3. Axitinib Intermediate 2

4. Schembl4065872

5. Schembl4065875

6. Amy7044

7. Dtxsid501134013

8. Akos016010719

9. Ac-26790

10. 230n757

11. A854961

12. 6-nitro-1-(oxan-2-yl)-3-[(e)-2-pyridin-2-ylethenyl]indazole

13. 6-nitro-3-[(1e)-2-(2-pyridinyl)ethenyl]-1-(tetrahydro-2h-pyran-2-yl)-1h-indazole

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈N₄O₃
Molecular Weight	350.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	350.13789045 g/mol
Monoisotopic Mass	350.13789045 g/mol
Topological Polar Surface Area	85.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	523
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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6-Iodo-1H-indazole

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CAS Number

261953-36-0

End Use API

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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