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CAS 571188-81-3

Chemistry, 1 End Use API, 46 Related Intermediates

Manufacturers/Suppliers

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Also known as: 571188-81-3, 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8h)-one, 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one, Schembl2074839, Ac-29013, 6-bromo-8-cyclopentyl-2-methanesulfinyl-5-methy1-8h-pyrido[2,3-d]pyrimidin-7-one

Molecular Formula

C₁₄H₁₆BrN₃O₂S

Molecular Weight

370.27 g/mol

InChI Key

NNPLOKKYGFGHNO-UHFFFAOYSA-N

1 2D Structure

CAS 571188-81-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

2.1.2 InChI

InChI=1S/C14H16BrN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3

2.1.3 InChI Key

NNPLOKKYGFGHNO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)S(=O)C)C3CCCC3)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 571188-81-3

2. 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8h)-one

3. 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

4. Schembl2074839

5. Ac-29013

6. 6-bromo-8-cyclopentyl-2-methanesulfinyl-5-methy1-8h-pyrido[2,3-d]pyrimidin-7-one

7. 6-bromo-8-cyclopentyl-2-methansulfinyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆BrN₃O₂S
Molecular Weight	370.27 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	369.01466 g/mol
Monoisotopic Mass	369.01466 g/mol
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	504
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

1016636-70-2

End Use API

Palbociclib

About the Company

Founded in 1995, Shenzhen Oriental Pharma focussed on the production of Active Pharma Ingredients (APIs),...

Founded in 1995, Shenzhen Oriental Pharma focussed on the production of Active Pharma Ingredients (APIs), Now the main product is Phenylephrine Hcl (PE), Doxylamine succinate.We have 14 years production experience for Phenylephrine Hcl, granted the GMP for PE in 2004,re-certified in 2009. A DMF has been submitted to FDA in 2005 (DMF # 18799), this product passed the US FDA inspection in March 2014. According to the customer’s needs, we can supply the APIs conforming to the current standard of USP, EP and CP .At the same time, we can supply various particle sizes product.

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