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(2S)-4-(2,5-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S)-4-(2,5-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 1260616-15-6

Formula: C25H21F2NO4

SMILES: OC(=O)[C@H](CCC1=CC(F)=CC=C1F)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-4-(2,5-difluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C25H21F2NO4/c26-16-10-11-22(27)15(13-16)9-12-23(24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,10-11,13,21,23H,9,12,14H2,(H,28,31)(H,29,30)/t23-/m0/s1

Composition: C (68.64%), H (4.84%), F (8.69%), N (3.20%), O (14.63%)

Molar Mass: 437.443

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 437.143864486
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CMOCQWVOWRXWCO-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 114.23
Topological Polar Surface Area 75.63
Polarizability 44.76
Ring Count 4
Rotatable Bond Count 8

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260616-15-6 $344.64-$826.56$344.64$551.04$826.56
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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260616-15-6 $311.04-$723.84$311.04$482.88$723.84
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260616-15-6 $153.84-$259.77$153.84$259.77
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