TL;DR: Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester (CAS 131066-43-8) is a chemical compound with molecular formula C9H11NO4P+ and molecular weight 228.04257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
Also Known As: Cbz-aminomethylphosphinic acid, J1.215.594H, ({[(benzyloxy)carbonyl]amino}methyl)phosphinic acid, [(Benzyloxycarbonylamino)methyl]phosphinic acid, Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester
| Molecular Formula | C9H11NO4P+ |
| Molecular Weight | 228.04257 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.04257 Da |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)NC[P+](=O)O |
| InChIKey | AWABBRGNEVMOQD-UHFFFAOYSA-O |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester. Following Lipinski's Rule of Five, Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester is 131066-43-8.
The molecular formula of Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester is C9H11NO4P+.
The molecular weight of Carbamic acid, [(hydroxyphosphinyl)methyl]-, phenylmethyl ester is 228.04257 g/mol.
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