AG01EG9U

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CAS Number	1698055-85-4
Catalog Number	AG01EG9U
Chemical Name	1-[4-[(7S)-6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-quinazolinyl]-1-piperazinyl]-2-propen-1-one
IUPAC Name	1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
InChI	InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2
InChI Key	ZRPZPNYZFSJUPA-UHFFFAOYSA-N
MDL Number	MFCD31619312
Molecular Formula	C21H17ClF2N4O2
Molecular Weight	430.8351
SMILES	Fc1c2c(c(ncn2)N2CCN(CC2)C(=O)C=C)cc(c1c1c(F)cccc1O)Cl
Synonyms	1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one sulfane, ARS-1620, ARS-1323, 1698024-73-5, ARS-1630, ARS-1620, 1698055-85-4, 1698055-86-5, 1-(4-(6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one, ARS-1323 (racemic), ARS-1620 (S-configuration), ARS-1630 (R-configuration), SCHEMBL16637284, ARS1620, ZRPZPNYZFSJUPA-UHFFFAOYSA-N, ARS 1323, BCP29127, EX-A2714, HY-U00416, ACN-053846, ACN-053847, ACN-053848, CS-0035015, A16809, (R)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one, (S)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one,

Complexity	636
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	430.101g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	430.84g/mol
Monoisotopic Mass	430.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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