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1-{4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid

1-{4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid

CAS: 1257213-50-5

Formula: C29H26N2O5

SMILES: C[C@@H](OC(=O)NC1=C(ON=C1C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(O)=O)C1=CC=CC=C1

IUPAC: 1-{4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid

InChI: InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1

Composition: C (72.19%), H (5.43%), N (5.81%), O (16.58%)

Molar Mass: 482.536

Atom Count: 62

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 482.184171945
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey GQBRZBHEPUQRPL-LJQANCHMSA-N
Lipinski's Rule of Five
Molar Refractivity 136.34
Topological Polar Surface Area 101.66
Polarizability 54.13
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1257213-50-5 $107.64-$305.33$107.64$180.09$305.33
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1257213-50-5 $67.85-$1,681.30$67.85$87.40$370.30$698.05$1,681.30
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