ansofaxine

ansofaxine

CAS: 916918-84-8

Formula: C24H32ClNO3

SMILES: Cl[H].CN(C)CC(C1=CC=C(OC(=O)C2=CC=C(C)C=C2)C=C1)C1(O)CCCCC1

IUPAC: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methylbenzoate hydrochloride

InChI: InChI=1/C24H31NO3.ClH/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24;/h7-14,22,27H,4-6,15-17H2,1-3H3;1H

Composition: C (68.97%), H (7.72%), Cl (8.48%), N (3.35%), O (11.48%)

Molar Mass: 417.97

Atom Count: 61

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	417.2070716
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BVWFJKQJRNSYCR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	113.41
Topological Polar Surface Area	49.77
Polarizability	44
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.87%	<7 Days	916918-84-8		$261.80-$1,292.17$261.80$467.50$813.45$1,292.17