4-(4-ethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

4-(4-ethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 1252046-18-6

Formula: C27H27NO5

SMILES: CCOC1=CC=C(CCC(NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: 4-(4-ethoxyphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1/C27H27NO5/c1-2-32-19-14-11-18(12-15-19)13-16-25(26(29)30)28-27(31)33-17-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-12,14-15,24-25H,2,13,16-17H2,1H3,(H,28,31)(H,29,30)

Composition: C (72.79%), H (6.11%), N (3.14%), O (17.96%)

Molar Mass: 445.515

Atom Count: 60

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	445.188922973
Formal Charge	0
FSP3	0.26
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GEMUBACKFRPGNS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	125.01
Topological Polar Surface Area	84.86
Polarizability	49.79
Ring Count	4
Rotatable Bond Count	10

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1252046-18-6		$51.35-$712.31$51.35$63.37$86.31$442.46$712.31