(1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester
TL;DR: (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester (CAS 42343-97-5) is a chemical compound with molecular formula C6H11Cl3NO4P and molecular weight 296.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)acetamide
Also Known As: BAS 00092779, (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester, dimethyl (2,2,2-trichloro-1-acetamidoethyl)phosphonate, N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)acetamide, N-[1-(dimethoxycarbonyl)-2,2,2-trichloroethyl]acetamide
| Molecular Formula | C6H11Cl3NO4P |
|---|---|
| Molecular Weight | 296.95 g/mol |
| LogP | 2.3047 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.94913 |
| Heavy Atoms | 15 |
| Complexity | 272.0408 |
Chemical Identifiers
| CAS Number | 42343-97-5 |
|---|---|
| SMILES | CC(=O)NC(C(Cl)(Cl)Cl)P(=O)(OC)OC |
Product Overview
(1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester (CAS 42343-97-5), with molecular formula C6H11Cl3NO4P and molecular weight 296.95 g/mol. IUPAC: N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)acetamide.
Chemical Property Profile of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester
Property Insights of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester
The XLogP value of 2.3047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester. Following Lipinski's Rule of Five, (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl 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-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester?
The CAS number of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester is 42343-97-5.
What is the molecular formula of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester?
The molecular formula of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester is C6H11Cl3NO4P.
What is the molecular weight of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester?
The molecular weight of (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester is 296.95 g/mol.
Where can I buy (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester?
You can request a quote for (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1-Acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.