fexaramine

fexaramine

CAS: 574013-66-4

Formula: C32H36N2O3

SMILES: COC(=O)C=CC1=CC=CC(=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1

IUPAC: methyl (2E)-3-[3-(N-{[4'-(dimethylamino)-[1,1'-biphenyl]-4-yl]methyl}cyclohexaneamido)phenyl]prop-2-enoate

InChI: InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+

Composition: C (77.39%), H (7.31%), N (5.64%), O (9.66%)

Molar Mass: 496.651

Atom Count: 73

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	496.272593027
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VLQTUNDJHLEFEQ-KGENOOAVSA-N
Lipinski's Rule of Five
Molar Refractivity	151.19
Topological Polar Surface Area	49.85
Polarizability	58.83
Ring Count	4
Rotatable Bond Count	9

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	574013-66-4		$54.86-$345.69$54.86$59.00$136.62$217.35$345.69