Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester
TL;DR: Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester (CAS 5301-38-2) is a chemical compound with molecular formula C5H9Cl2O4P and molecular weight 233.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl ethyl methyl phosphate
Also Known As: 2,2-dichloroethenyl ethyl methyl phosphate, Phosphoric acid, 2,2-dichlorovinyl ethyl methyl ester, (2,2-Dichlorovinyl)ethylmethyl=phosphate, 2,2-dichlorovinyl ethyl methyl phosphate, 2,2-Dichlorovinyl ethyl methyl ester of phosphoric acid
| Molecular Formula | C5H9Cl2O4P |
|---|---|
| Molecular Weight | 233.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.96155 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5301-38-2 |
|---|---|
| SMILES | CCOP(=O)(OC)OC=C(Cl)Cl |
| InChIKey | JEIAAOWEWXSKGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester (CAS 5301-38-2), with molecular formula C5H9Cl2O4P and molecular weight 233.96 g/mol. IUPAC: 2,2-dichloroethenyl ethyl methyl phosphate.
Chemical Property Profile of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester
Property Insights of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester 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 Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester?
The CAS number of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester is 5301-38-2.
What is the molecular formula of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester?
The molecular formula of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester is C5H9Cl2O4P.
What is the molecular weight of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester?
The molecular weight of Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester is 233.96 g/mol.
Where can I buy Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester?
You can request a quote for Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.