Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester
TL;DR: Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester (CAS 15501-45-8) is a chemical compound with molecular formula C4H9Cl2O4P and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-dimethoxyphosphorylethanol
Also Known As: NS 2662, 2,2-dichloro-1-dimethoxyphosphorylethanol, AI3-20743, O,O-Dimethyl 2,2-dichloro-1-hydroxyethylphosphonate, dimethyl(2,2-dichloro-1-hydroxyethyl)phosphonate
| Molecular Formula | C4H9Cl2O4P |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.96155 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 15501-45-8 |
|---|---|
| SMILES | COP(=O)(C(C(Cl)Cl)O)OC |
| InChIKey | SJZJHMWQLCCOOR-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester (CAS 15501-45-8), with molecular formula C4H9Cl2O4P and molecular weight 221.96 g/mol. IUPAC: 2,2-dichloro-1-dimethoxyphosphorylethanol.
Chemical Property Profile of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester
Property Insights of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester 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 Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester?
The CAS number of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester is 15501-45-8.
What is the molecular formula of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester?
The molecular formula of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester is C4H9Cl2O4P.
What is the molecular weight of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester?
The molecular weight of Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester is 221.96 g/mol.
Where can I buy Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester?
You can request a quote for Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, 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-hydroxyethyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.