Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate
TL;DR: Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate (CAS 51945-89-2) is a chemical compound with molecular formula C9H17Cl3NO4P and molecular weight 339.00 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)propanamide
Also Known As: SALOR-INT L469661-1EA, DIETHYL 2,2,2-TRICHLORO-1-(PROPIONYLAMINO)ETHYLPHOSPHONATE, N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)propanamide, N-[1-(diethoxycarbonyl)-2,2,2-trichloroethyl]propanamide, DIETHYL (2,2,2-TRICHLORO-1-PROPANAMIDOETHYL)PHOSPHONATE
| Molecular Formula | C9H17Cl3NO4P |
|---|---|
| Molecular Weight | 339.00 g/mol |
| LogP | 3.475 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.99606 |
| Heavy Atoms | 18 |
| Complexity | 311.42484 |
Chemical Identifiers
| CAS Number | 51945-89-2 |
|---|---|
| SMILES | CCC(=O)NC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC |
Product Overview
Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate (CAS 51945-89-2), with molecular formula C9H17Cl3NO4P and molecular weight 339.00 g/mol. IUPAC: N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)propanamide.
Chemical Property Profile of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate
Property Insights of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate
The XLogP value of 3.475 indicates that Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate 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 Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate. Following Lipinski's Rule of Five, Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate 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 Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate?
The CAS number of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate is 51945-89-2.
What is the molecular formula of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate?
The molecular formula of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate is C9H17Cl3NO4P.
What is the molecular weight of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate?
The molecular weight of Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate is 339.00 g/mol.
Where can I buy Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate?
You can request a quote for Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.