AG01EPBO

Name: (2R,6R)-rel-2-[4-(1,1-dimethylethyl)phenyl]-1,2,5,6-tetrahydro-6-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyridinecarboxylicacid
Brand: Angene Chemical
SKU: AG01EPBO

942285-55-4 | (2R,6R)-rel-2-[4-(1,1-dimethylethyl)phenyl]-1,2,5,6-tetrahydro-6-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyridinecarboxylicacid

Chemical structure of (2R,6R)-rel-2-[4-(1,1-dimethylethyl)phenyl]-1,2,5,6-tetrahydro-6-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyridinecarboxylicacid, CAS 942285-55-4

AG01EPBO

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CAS Number	942285-55-4
Catalog Number	AG01EPBO(AGN-PC-3H46N9)
Chemical Name	(2R,6R)-rel-2-[4-(1,1-dimethylethyl)phenyl]-1,2,5,6-tetrahydro-6-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyridinecarboxylicacid
IUPAC Name	(2S,6S)-6-(4-tert-butylphenyl)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
InChI	InChI=1S/C30H33NO4S/c1-20-6-10-22(11-7-20)27-19-18-26(29(32)33)28(23-12-14-24(15-13-23)30(3,4)5)31(27)36(34,35)25-16-8-21(2)9-17-25/h6-18,27-28H,19H2,1-5H3,(H,32,33)/t27-,28-/m0/s1
InChI Key	KUBDPRSHRVANQQ-NSOVKSMOSA-N
MDL Number	MFCD26792576
Molecular Formula	C30H33NO4S
Molecular Weight	503.6523
SMILES	OC(C1=CC[C@@H](C2=CC=C(C)C=C2)N(S(C3=CC=C(C)C=C3)(=O)=O)[C@H]1C4=CC=C(C(C)(C)C)C=C4)=O
Synonyms	MLS002554541, 942285-55-4, SMR001475836, SR-01000872326, PAFAH1b2/3-IN-P11, CHEMBL1317077, AOB6946, HMS3100O09, ZINC61695501, NCGC00402365-02, AS-16984, SR-01000872326-2, SR-01000872326-3, (2R,6R)-rel-2-[4-(1,1-dimethylethyl)phenyl]-1,2,5,6-tetrahydro-6-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyridinecarboxylicacid, KUBDPRSHRVANQQ-NSOVKSMOSA-N, P11,

Complexity	890
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	503.213g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	503.657g/mol
Monoisotopic Mass	503.213g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited