(3S)-3-(4-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(3S)-3-(4-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 479064-91-0

Formula: C24H20ClNO4

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

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

InChI: InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

Composition: C (68.33%), H (4.78%), Cl (8.40%), N (3.32%), O (15.17%)

Molar Mass: 421.88

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	421.1080858
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VDMPMJZDURHZTB-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity	113.87
Topological Polar Surface Area	75.63
Polarizability	45.45
Ring Count	4
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	479064-91-0		$40.35-$306.42$40.35$59.27$103.40$306.42