Y-27632 dihydrochloride

Y-27632 dihydrochloride

CAS: 129830-38-2

Formula: C14H23Cl2N3O

SMILES: Cl[H].Cl[H].[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N

IUPAC: (1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide dihydrochloride

InChI: InChI=1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11-,12+;;/m1../s1

Composition: C (52.51%), H (7.24%), Cl (22.14%), N (13.12%), O (5.00%)

Molar Mass: 320.26

Atom Count: 43

Heavy Atom Count: 20

Properties

Properties

Common Names	Y-27632 dihydrochloride
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	319.1218178
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IDDDVXIUIXWAGJ-LJDSMOQUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.44
Topological Polar Surface Area	68.01
Polarizability	28
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.98%	<7 Days	129830-38-2		$65.45-$2,477.75$65.45$196.35$327.25$514.25$1,075.25$1,542.75$2,477.75