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CAS 155405-80-4 manufacturers and suppliers on PharmaCompass

Product

4CH-010665

4CH-010665

Chemistry, 2 End Use API, 19 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

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4CH-010665

Also known as:

Molecular Formula

C₁₆H₁₆N₄O₃

Molecular Weight

312.32 g/mol

InChI Key

GDEKSBCRJKAARB-UHFFFAOYSA-N

1 2D Structure

4CH-010665

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

2.1.2 InChI

InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)

2.1.3 InChI Key

GDEKSBCRJKAARB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N

2.1.5 Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N

2.2 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₆N₄O₃
Molecular Weight	312.32 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	312.12224039 g/mol
Monoisotopic Mass	312.12224039 g/mol
Topological Polar Surface Area	110 A^2
Heavy Atom Count	23
Formal Charge	0
Complexity	500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Novick Biosciences

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India

Digital Content

2-Chloro-4,6-dimethoxy-1,3,5-triazine

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CAS Number

3140-73-6

End Use API

Pemetrexed

About the Company

Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing ...

Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing chemistry and formulation development services to Global Pharmaceutical, Bio-tech, Agrochemical Research Organizations and Academics to help our customers achieve their goals.Our commitment to scientists and researches alike is to offer the highest quality products with the most competitive pricing in a time effective manner delivering the research tools necessary in today’s competitive landscape.

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