TL;DR: Cgs 25462 (CAS 147862-03-1) is a chemical compound with molecular formula C31H31N2O6P and molecular weight 558.19196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(2S)-2-(diphenoxyphosphorylmethylamino)-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
Also Known As: Cgs 25462, 3-(N-(2-(((Diphenylphosphono)methyl)amino)-3-(4-biphenylyl)propionyl)amino)propionic acid, N-[(Diphenoxyphosphinyl)methyl]-4-phenyl-L-Phe-betaAla-OH, beta-Alanine, N-(3-(1,1'-biphenyl)-4-yl-N-((diphenoxyphosphinyl)methyl)-L-alanyl)-, (S)-N-[2-(diphenylphosphonomethylamino)-3-(4-biphenylyl)-propionyl]-3-aminopropionic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C31H31N2O6P |
| Molecular Weight | 558.19196 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 558.19196 Da |
| Heavy Atoms | 40 |
| Complexity | 791.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)NCCC(=O)O)NCP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 |
| InChIKey | JTQWXNZXTRVPHN-LJAQVGFWSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cgs 25462. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cgs 25462. Following Lipinski's Rule of Five, Cgs 25462 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cgs 25462 is 147862-03-1.
The molecular formula of Cgs 25462 is C31H31N2O6P.
The molecular weight of Cgs 25462 is 558.19196 g/mol.
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