Demethyldichlorvos
TL;DR: Demethyldichlorvos (CAS 13445-62-0) is a chemical compound with molecular formula C3H5Cl2O4P and molecular weight 205.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl methyl hydrogen phosphate
Also Known As: Demethyldichlorvos, Caviphos, Desmethyldichlorvos, Monomethyl-DDVP, Desmethyl DDVP
| Molecular Formula | C3H5Cl2O4P |
|---|---|
| Molecular Weight | 205.93 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.93025 |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 13445-62-0 |
|---|---|
| SMILES | COP(=O)(O)OC=C(Cl)Cl |
| InChIKey | PFCDFSJUWNKQQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demethyldichlorvos (CAS 13445-62-0), with molecular formula C3H5Cl2O4P and molecular weight 205.93 g/mol. IUPAC: 2,2-dichloroethenyl methyl hydrogen phosphate.
Chemical Property Profile of Demethyldichlorvos
Property Insights of Demethyldichlorvos
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethyldichlorvos. With a topological polar surface area (TPSA) of 55.8 Ų, Demethyldichlorvos exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethyldichlorvos 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 Demethyldichlorvos?
The CAS number of Demethyldichlorvos is 13445-62-0.
What is the molecular formula of Demethyldichlorvos?
The molecular formula of Demethyldichlorvos is C3H5Cl2O4P.
What is the molecular weight of Demethyldichlorvos?
The molecular weight of Demethyldichlorvos is 205.93 g/mol.
Where can I buy Demethyldichlorvos?
You can request a quote for Demethyldichlorvos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyldichlorvos?
Yes, KEHONG BIO provides custom synthesis services for Demethyldichlorvos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.