AG01EOCP

Name: LYC-55716
Brand: Angene Chemical
SKU: AG01EOCP

2055536-64-4 | LYC-55716

AG01EOCP

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CAS Number	2055536-64-4
Catalog Number	AG01EOCP(AGN-PC-3H46C0)
Chemical Name	LYC-55716
IUPAC Name	3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid
InChI	InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1
InChI Key	GULSIMHVQYBADX-FQEVSTJZSA-N
MDL Number	MFCD31544352
Molecular Formula	C27H23F6NO6S
Molecular Weight	603.5300
SMILES	S(=O)(=O)(N1c2c(O[C@H](C1)CC(C(=O)O)(C)C)ccc(c2)c1cc(OC(F)F)cc(c1)F)c1cc(C(F)(F)F)ccc1
UNII	LPN433P0EA
Synonyms	Cintirorgon, LYC-55716, UNII-LPN433P0EA, LPN433P0EA, 2055536-64-4, Cintirorgon [INN], cintirorgon (proposed INN), SCHEMBL18302870, GTPL10045, BCP28882, EX-A2635, LYC55716, LYC 55716, CS-7496, compound 32J [WO2016201225A1], HY-104037, A16863, 3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	603.115g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	603.532g/mol
Monoisotopic Mass	603.115g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.8

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