Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester
TL;DR: Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester (CAS 3862-21-3) is a chemical compound with molecular formula C4H7Cl4O4P and molecular weight 289.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2,2,2-tetrachloroethyl phosphate
Also Known As: Dimethyl 1,2,2,2-tetrachloroethyl phosphate, Dimethyl-tetrachloraethyl-phosphat, Dimethyl-tetrachloraethyl-phosphat [German], Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester, 4-01-00-03149 (Beilstein Handbook Reference)
| Molecular Formula | C4H7Cl4O4P |
|---|---|
| Molecular Weight | 289.88 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.88065 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 3862-21-3 |
|---|---|
| SMILES | COP(=O)(OC)OC(C(Cl)(Cl)Cl)Cl |
| InChIKey | KWIDLTWZQJKRFD-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester (CAS 3862-21-3), with molecular formula C4H7Cl4O4P and molecular weight 289.88 g/mol. IUPAC: dimethyl 1,2,2,2-tetrachloroethyl phosphate.
Chemical Property Profile of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester
Property Insights of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl 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, dimethyl 1,2,2,2-tetrachloroethyl ester?
The CAS number of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester is 3862-21-3.
What is the molecular formula of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester?
The molecular formula of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester is C4H7Cl4O4P.
What is the molecular weight of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester?
The molecular weight of Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester is 289.88 g/mol.
Where can I buy Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester?
You can request a quote for Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl 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, dimethyl 1,2,2,2-tetrachloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.