AG01ENWZ

Name: (+)-JQ1 PA
Brand: Angene Chemical
SKU: AG01ENWZ

2115701-93-2 | (+)-JQ1 PA

AG01ENWZ

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	2115701-93-2
Catalog Number	AG01ENWZ(AGN-PC-3H4648)
Chemical Name	(+)-JQ1 PA
IUPAC Name	2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-prop-2-ynylacetamide
InChI	InChI=1S/C22H20ClN5OS/c1-5-10-24-18(29)11-17-21-27-26-14(4)28(21)22-19(12(2)13(3)30-22)20(25-17)15-6-8-16(23)9-7-15/h1,6-9,17H,10-11H2,2-4H3,(H,24,29)/t17-/m0/s1
InChI Key	ZLSCJWMPQYKVKU-KRWDZBQOSA-N
MDL Number	MFCD31715451
Molecular Formula	C22H20ClN5OS
Molecular Weight	437.9451
SMILES	ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C(=C(S3)C)C)C(=NN2)C)CC(=O)NCC#C
Synonyms	(+)-JQ1 PA, 2115701-93-2, HY-112789, CS-0064464,

Complexity	730
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	437.108g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	437.946g/mol
Monoisotopic Mass	437.108g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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