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2-chloro-8-cyclopentyl-5-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one - 97%, high purity , CAS No.1013916-37-4

COA

Grade & Purity:

≥97%

Cas Number: 1013916-37-4
Molecular Weight: 263.73
EC Number: 800-066-8
PubChem CID: 44248248
PubChem SID: 504770332

In stock

Item Number

C171655

Grouped product items
SKU	Size	Availability	Price
C171655-1g	1g	3	$152.90
C171655-5g	5g	3	$606.90
C171655-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,727.90

Basic Description

Synonyms	1013916-37-4 \| 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one \| 2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one \| 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one \| MFCD13181207 \| Pyrido[2,3-d]pyrimidin-7(8H)-one, 2-chlor
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridopyrimidines
    - Subclass Pyrido[2,3-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridopyrimidines
Subclass	Pyrido[2,3-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrido[2,3-d]pyrimidines
Alternative Parents	Pyridinones Methylpyridines 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrido[2,3-d]pyrimidine - Halopyrimidine - Pyridinone - Methylpyridine - 2-halopyrimidine - Aryl halide - Pyrimidine - Aryl chloride - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504770332
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770332
IUPAC Name	2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
INCHI	InChI=1S/C13H14ClN3O/c1-8-6-11(18)17(9-4-2-3-5-9)12-10(8)7-15-13(14)16-12/h6-7,9H,2-5H2,1H3
InChIKey	BSKNQSYIDZUXQT-UHFFFAOYSA-N
Smiles	CC1=CC(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3
Isomeric SMILES	CC1=CC(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3
Alternate CAS	1013916-37-4
Molecular Weight	263.73
Reaxy-Rn	15642863
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15642863&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L1911211	Certificate of Analysis	Sep 11, 2023	C171655
F2312318	Certificate of Analysis	Jun 28, 2023	C171655
F2312319	Certificate of Analysis	Jun 19, 2023	C171655

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Molecular Weight	263.720 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	263.083 Da
Monoisotopic Mass	263.083 Da
Topological Polar Surface Area	46.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	378.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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