CAS 886230-75-7

Chemistry, 1 End Use API, 17 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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CAS Number

886230-75-7

Intermediate Name

(E)-6-Nitro-3-[2-(pyridin-2-yl)ethe...

About the Company

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.

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