Desmethyl-trichlorfon
TL;DR: Desmethyl-trichlorfon (CAS 684-31-1) is a chemical compound with molecular formula C3H6Cl3O4P and molecular weight 241.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinic acid
Also Known As: Demethyltrichlorfon, Demethyltrichlorphon, desmethyltrichlorfon, Desmethyl-trichlorfon, Desmethylmetrifonate
| Molecular Formula | C3H6Cl3O4P |
|---|---|
| Molecular Weight | 241.91 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.90692 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 684-31-1 |
|---|---|
| SMILES | COP(=O)(C(C(Cl)(Cl)Cl)O)O |
| InChIKey | KFPHBRHXSUAGID-UHFFFAOYSA-N |
Product Overview
Desmethyl-trichlorfon (CAS 684-31-1), with molecular formula C3H6Cl3O4P and molecular weight 241.91 g/mol. IUPAC: methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinic acid.
Chemical Property Profile of Desmethyl-trichlorfon
Property Insights of Desmethyl-trichlorfon
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethyl-trichlorfon. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethyl-trichlorfon. Following Lipinski's Rule of Five, Desmethyl-trichlorfon has 2 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 Desmethyl-trichlorfon?
The CAS number of Desmethyl-trichlorfon is 684-31-1.
What is the molecular formula of Desmethyl-trichlorfon?
The molecular formula of Desmethyl-trichlorfon is C3H6Cl3O4P.
What is the molecular weight of Desmethyl-trichlorfon?
The molecular weight of Desmethyl-trichlorfon is 241.91 g/mol.
Where can I buy Desmethyl-trichlorfon?
You can request a quote for Desmethyl-trichlorfon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethyl-trichlorfon?
Yes, KEHONG BIO provides custom synthesis services for Desmethyl-trichlorfon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.