Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester
TL;DR: Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester (CAS 83073-80-7) 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.
1,1-dichloro-2-dimethoxyphosphoryl-2-methoxyethene
Also Known As: NIOSH/SZ9055000, 1-(2-Ethoxyphenyl)piperazinium chloride, O,O-Dimethyl (1-methoxy-2,2-dichlorovinyl)phosphonate, Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester, 1,1-dichloro-2-dimethoxyphosphoryl-2-methoxyethene
| Molecular Formula | C5H9Cl2O4P |
|---|---|
| Molecular Weight | 233.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.96155 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 83073-80-7 |
|---|---|
| SMILES | COC(=C(Cl)Cl)P(=O)(OC)OC |
| InChIKey | AGXXRMRTKRLLNZ-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester (CAS 83073-80-7), with molecular formula C5H9Cl2O4P and molecular weight 233.96 g/mol. IUPAC: 1,1-dichloro-2-dimethoxyphosphoryl-2-methoxyethene.
Chemical Property Profile of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester
Property Insights of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl 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 Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester?
The CAS number of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester is 83073-80-7.
What is the molecular formula of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester?
The molecular formula of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester is C5H9Cl2O4P.
What is the molecular weight of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester?
The molecular weight of Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester is 233.96 g/mol.
Where can I buy Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester?
You can request a quote for Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (2,2-dichloro-1-methoxyethenyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.