Shandong Chenghui Shuangda Pharmaceutical | CAS 1236033-05-8 | Related Intermediates | Manufacturers & Suppliers

CAS 1236033-05-8

Chemistry, 1 End Use API, 15 Related Intermediates

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Also known as: 1236033-05-8, Propanoic acid, 2,2-dimethyl-, [4-[1-(2-cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester, Schembl2998410, Vonahximkywqcq-uhfffaoysa-n, (4-(1-(2-cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methylpivalate, Racemic (4-(1-(2-cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

Molecular Formula

C₂₃H₂₈N₆O₂

Molecular Weight

420.5 g/mol

InChI Key

VONAHXIMKYWQCQ-UHFFFAOYSA-N

1 2D Structure

CAS 1236033-05-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

2.1.2 InChI

InChI=1S/C23H28N6O2/c1-23(2,3)22(30)31-15-28-11-9-18-20(25-14-26-21(18)28)17-12-27-29(13-17)19(8-10-24)16-6-4-5-7-16/h9,11-14,16,19H,4-8,15H2,1-3H3

2.1.3 InChI Key

VONAHXIMKYWQCQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(=O)OCN1C=CC2=C(N=CN=C21)C3=CN(N=C3)C(CC#N)C4CCCC4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1236033-05-8

2. Propanoic Acid, 2,2-dimethyl-, [4-[1-(2-cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl]methyl Ester

3. Schembl2998410

4. Vonahximkywqcq-uhfffaoysa-n

5. (4-(1-(2-cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methylpivalate

6. Racemic (4-(1-(2-cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl Pivalate

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₈N₆O₂
Molecular Weight	420.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	98.6
Heavy Atom Count	31
Formal Charge	0
Complexity	679
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1029716-44-6

End Use API

Ruxolitinib Phosphate

About the Company

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.