(3S)-4-(3,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(3S)-4-(3,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 270063-52-0

Formula: C25H21Cl2NO4

SMILES: OC(=O)C[C@H](CC1=CC=C(Cl)C(Cl)=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (3S)-4-(3,4-dichlorophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C25H21Cl2NO4/c26-22-10-9-15(12-23(22)27)11-16(13-24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,16,21H,11,13-14H2,(H,28,31)(H,29,30)/t16-/m0/s1

Composition: C (63.84%), H (4.50%), Cl (15.07%), N (2.98%), O (13.61%)

Molar Mass: 470.35

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	469.0847636
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NVROSHMPZXMHHP-INIZCTEOSA-N
Lipinski's Rule of Five
Molar Refractivity	123.43
Topological Polar Surface Area	75.63
Polarizability	49.19
Ring Count	4
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	270063-52-0		$185.37-$2,010.03$185.37$298.86$593.93$2,010.03