TL;DR: Phosphoramidochloridic acid, N-phenyl-, phenyl ester (CAS 51766-21-3) is a chemical compound with molecular formula C12H11ClNO2P and molecular weight 267.0216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[chloro(phenoxy)phosphoryl]aniline
Also Known As: phenyl phenylphosphoramidochloridate, Phenyl N-phenylphosphoramidochloridate, 3P-Cl, PPPAC, N-[chloro(phenoxy)phosphoryl]aniline
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11ClNO2P |
| Molecular Weight | 267.0216 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0216 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)Cl |
| InChIKey | ZUQYQPGYEFBITH-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Phosphoramidochloridic acid, N-phenyl-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Phosphoramidochloridic acid, N-phenyl-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoramidochloridic acid, N-phenyl-, phenyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphoramidochloridic acid, N-phenyl-, phenyl ester is 51766-21-3.
The molecular formula of Phosphoramidochloridic acid, N-phenyl-, phenyl ester is C12H11ClNO2P.
The molecular weight of Phosphoramidochloridic acid, N-phenyl-, phenyl ester is 267.0216 g/mol.
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