2-Chloroethenyl dimethyl phosphate
TL;DR: 2-Chloroethenyl dimethyl phosphate (CAS 17027-41-7) is a chemical compound with molecular formula C4H8ClO4P and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethenyl dimethyl phosphate
Also Known As: 2-chloroethenyl dimethyl phosphate, Phosphoric acid, 2-chloroethenyl dimethyl ester, 2-Chloroethen-1-yl dimethyl phosphate, Phosphoric acid 2-chlorovinyl=dimethyl, AI3-20778
| Molecular Formula | C4H8ClO4P |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.98488 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 17027-41-7 |
|---|---|
| SMILES | COP(=O)(OC)OC=CCl |
| InChIKey | DAGDSDBQVXQBAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethenyl dimethyl phosphate (CAS 17027-41-7), with molecular formula C4H8ClO4P and molecular weight 185.98 g/mol. IUPAC: 2-chloroethenyl dimethyl phosphate.
Chemical Property Profile of 2-Chloroethenyl dimethyl phosphate
Property Insights of 2-Chloroethenyl dimethyl phosphate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethenyl dimethyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Chloroethenyl dimethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethenyl dimethyl phosphate has 0 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 2-Chloroethenyl dimethyl phosphate?
The CAS number of 2-Chloroethenyl dimethyl phosphate is 17027-41-7.
What is the molecular formula of 2-Chloroethenyl dimethyl phosphate?
The molecular formula of 2-Chloroethenyl dimethyl phosphate is C4H8ClO4P.
What is the molecular weight of 2-Chloroethenyl dimethyl phosphate?
The molecular weight of 2-Chloroethenyl dimethyl phosphate is 185.98 g/mol.
Where can I buy 2-Chloroethenyl dimethyl phosphate?
You can request a quote for 2-Chloroethenyl dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethenyl dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethenyl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.