Text Search
Structure Search

(2S)-4-(3-chlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid

(2S)-4-(3-chlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}butanoic acid

CAS: 2255321-19-6

Formula: C26H24ClNO4

SMILES: CN([C@@H](CCC1=CC=CC(Cl)=C1)C(O)=O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-4-(3-chlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)butanoic acid

InChI: InChI=1S/C26H24ClNO4/c1-28(24(25(29)30)14-13-17-7-6-8-18(27)15-17)26(31)32-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-12,15,23-24H,13-14,16H2,1H3,(H,29,30)/t24-/m0/s1

Composition: C (69.41%), H (5.38%), Cl (7.88%), N (3.11%), O (14.22%)

Molar Mass: 449.93

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 449.139386
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QXJMWPHIYLKJFP-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 123.5
Topological Polar Surface Area 66.84
Polarizability 49.13
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2255321-19-6 $320.64-$775.68$320.64$511.68$775.68
Request Quote