cinacalcet

cinacalcet

CAS: 226256-56-0

Formula: C22H22F3N

SMILES: C[C@@H](NCCCC1=CC=CC(=C1)C(F)(F)F)C1=C2C=CC=CC2=CC=C1

IUPAC: [(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine

InChI: InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1

Composition: C (73.93%), H (6.20%), F (15.95%), N (3.92%)

Molar Mass: 357.42

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	CNC; cinacalcet; mimpara
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	357.170434201
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VDHAWDNDOKGFTD-MRXNPFEDSA-N
Lipinski's Rule of Five
Molar Refractivity	100.12
Topological Polar Surface Area	12.03
Polarizability	38.96
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.97%	<7 Days	226256-56-0		$32.73-$168.30$32.73$51.43$93.50$168.30