CAS 1236033-05-8

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 33 Related Intermediates

1 Suppliers
1 End Use APIs
33 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

BUILDING BLOCK

Upload your portfolio for free, ask us

SUPPLIERS

01 Shandong Chenghui Shuangda Pharmaceuti...

China

CPhI Japan

Exhibiting

China’s top API & intermediate manufacturer, delivering advanced CMO/CDMO solutions to 60+ countries, empowering global health progress

(4-(1-(2-Cyano-1- cyclopentylethyl)-1h-pyrazol-4-y...

CAS Number : 1236033-05-8

End Use API : Ruxolitinib Phosphate

Shandong Chenghui Shuangda Pharmaceutical

Only 10 entries up to this point, click to access all

END USE APIs

Privacy policy
Terms and conditions
Disclaimers
Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.

CAS 1236033-05-8 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers

1 End Use APIs

33 Related Intermediates

01

Shandong Chenghui Shuangda Pharmaceuti...

What are you looking for?