CAS 886230-77-9

Chemistry, 2 End Use API, 16 Related Intermediates

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Also known as: 886230-77-9, (e)-6-iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2h-pyran-2-yl)-1h-indazole, 6-iodo-1-(oxan-2-yl)-3-[(e)-2-pyridin-2-ylethenyl]indazole, 6-iodo-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole, Schembl4905166, Schembl4905180

Molecular Formula

C₁₉H₁₈IN₃O

Molecular Weight

431.3 g/mol

InChI Key

QXJFRDDGGSSQDX-CSKARUKUSA-N

1 2D Structure

CAS 886230-77-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C19H18IN3O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-8+

2.1.3 InChI Key

QXJFRDDGGSSQDX-CSKARUKUSA-N

2.1.4 Canonical SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)I)C(=N2)C=CC4=CC=CC=N4

2.1.5 Isomeric SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)I)C(=N2)/C=C/C4=CC=CC=N4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 886230-77-9

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

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

4. 6-iodo-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole

5. Schembl4905166

6. Schembl4905180

7. Mfcd12405576

8. Akos025401877

9. Ac-26792

10. Ds-19521

11. Am20090670

12. Cs-0155861

13. C76950

14. 405i576

15. A854959

16. 6-iodo-3-(2-pyridin-2-yl-vinyl)-1-(tetrahydro-pyran-2-yl)-1h-indazole

17. 1h-indazole, 6-iodo-3-[(1e)-2-(2-pyridinyl)ethenyl]-1-(tetrahydro-2h-pyran-2-yl)-

2.3 Create Date

2007-09-10

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈IN₃O
Molecular Weight	431.3 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	431.04946 g/mol
Monoisotopic Mass	431.04946 g/mol
Topological Polar Surface Area	39.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	446
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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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

886230-77-9

Intermediate Name

6-Iodo-3(E)-2-pyridin-2-yl-vinyl)-1...

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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CAS Number

886230-77-9

Intermediate Name

(E)-6-Iodo-3-[2-(pyridin-2-yl)ethen...

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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