AG009CIP

Name: KHK-IN-1 (hydrochloride)
Brand: Angene Chemical
SKU: AG009CIP

1303470-48-5 | KHK-IN-1 (hydrochloride)

AG009CIP

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WARNING This product is not for human or veterinary use.

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CAS Number	1303470-48-5
Catalog Number	AG009CIP
Chemical Name	KHK-IN-1 (hydrochloride)
IUPAC Name	8-N-(cyclopropylmethyl)-4-N-(2-methylsulfanylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine;hydrochloride
InChI	InChI=1S/C21H26N8S.ClH/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29;/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28);1H
InChI Key	VKIBPWKARAEIHN-UHFFFAOYSA-N
MDL Number	MFCD29472233
Molecular Formula	C21H27ClN8S
Molecular Weight	459.0107
SMILES	Cl.N=1C=NC=2C(=NC(=NC2C1NCC3CC3)N4CCNCC4)NC=5C=CC=CC5SC
Synonyms	KHK-IN-1 (hydrochloride), KHK-IN-1 hydrochloride, 1303470-48-5, HY-12841A, CS-4607,

Complexity	543
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	458.177g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	459.013g/mol
Monoisotopic Mass	458.177g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited