Ethyl phosphonoformate
TL;DR: Ethyl phosphonoformate (CAS 102831-46-9) is a chemical compound with molecular formula C3H5Cl2O3P and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl dichlorophosphorylformate
Also Known As: ethylphosphonoformate, ethyl phosphonoformate, Ethyl Dichlorophosphorylformate, ethyl dichlorophosphinecarboxylate oxide
| Molecular Formula | C3H5Cl2O3P |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 2.8136 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.93533 |
| Heavy Atoms | 9 |
| Complexity | 151.13686 |
Chemical Identifiers
| CAS Number | 102831-46-9 |
|---|---|
| SMILES | CCOC(=O)P(=O)(Cl)Cl |
Product Overview
Ethyl phosphonoformate (CAS 102831-46-9), with molecular formula C3H5Cl2O3P and molecular weight 189.94 g/mol. IUPAC: ethyl dichlorophosphorylformate.
Chemical Property Profile of Ethyl phosphonoformate
Property Insights of Ethyl phosphonoformate
The XLogP value of 2.8136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl phosphonoformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl phosphonoformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl phosphonoformate has 0 hydrogen bond donor(s) and 3 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 Ethyl phosphonoformate?
The CAS number of Ethyl phosphonoformate is 102831-46-9.
What is the molecular formula of Ethyl phosphonoformate?
The molecular formula of Ethyl phosphonoformate is C3H5Cl2O3P.
What is the molecular weight of Ethyl phosphonoformate?
The molecular weight of Ethyl phosphonoformate is 189.94 g/mol.
Where can I buy Ethyl phosphonoformate?
You can request a quote for Ethyl phosphonoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl phosphonoformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl phosphonoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.