(1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester
TL;DR: (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester (CAS 50966-08-0) is a chemical compound with molecular formula C13H17Cl3NO4P and molecular weight 387.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide
Also Known As: BAS 00092464, (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester, N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide, Diethyl (1-benzamido-2,2,2-trichloroethyl)phosphonate, diethyl 1-benzoylamino-2,2,2-trichloroethylphosphonate
| Molecular Formula | C13H17Cl3NO4P |
|---|---|
| Molecular Weight | 387.00 g/mol |
| LogP | 4.3788 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.99606 |
| Heavy Atoms | 22 |
| Complexity | 525.8368 |
Chemical Identifiers
| CAS Number | 50966-08-0 |
|---|---|
| SMILES | CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1)OCC |
Product Overview
(1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester (CAS 50966-08-0), with molecular formula C13H17Cl3NO4P and molecular weight 387.00 g/mol. IUPAC: N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide.
Chemical Property Profile of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester
Property Insights of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester
The XLogP value of 4.3788 indicates that (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester. Following Lipinski's Rule of Five, (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester?
The CAS number of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester is 50966-08-0.
What is the molecular formula of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester?
The molecular formula of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester is C13H17Cl3NO4P.
What is the molecular weight of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester?
The molecular weight of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester is 387.00 g/mol.
Where can I buy (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester?
You can request a quote for (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.