TL;DR: Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester (CAS 130727-16-1) is a chemical compound with molecular formula C24H26NO5P and molecular weight 439.15485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(1-diphenoxyphosphorylbutyl)carbamate
Also Known As: Benzyl N-(1-diphenoxyphosphorylbutyl)carbamate, J2.321.029K, Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester, BENZYL N-[1-(DIPHENOXYPHOSPHORYL)BUTYL]CARBAMATE, Diphenyl (1-{[(benzyloxy)carbonyl]amino}butyl)phosphonate
| Molecular Formula | C24H26NO5P |
| Molecular Weight | 439.15485 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 439.15485 Da |
| Heavy Atoms | 31 |
| Complexity | 544.0 |
| SMILES | CCCC(NC(=O)OCC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| InChIKey | UNYYGSNDHISNBR-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester. Following Lipinski's Rule of Five, Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester is 130727-16-1.
The molecular formula of Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester is C24H26NO5P.
The molecular weight of Carbamic acid, [1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester is 439.15485 g/mol.
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