Phosphonic acid, P-(chloromethyl)-, diethyl ester
TL;DR: Phosphonic acid, P-(chloromethyl)-, diethyl ester (CAS 3167-63-3) is a chemical compound with molecular formula C5H12ClO3P and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[chloromethyl(ethoxy)phosphoryl]oxyethane
Also Known As: Diethyl (chloromethyl)phosphonate, Diethyl chloromethylphosphonate, Diethyl chloromethanephosphonate, Diethyl phosphonate, Diethyl(chloromethyl)phosphonate
| Molecular Formula | C5H12ClO3P |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.02126 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 3167-63-3 |
|---|---|
| SMILES | CCOP(=O)(CCl)OCC |
| InChIKey | MZBIWKMCTWJLPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, P-(chloromethyl)-, diethyl ester (CAS 3167-63-3), with molecular formula C5H12ClO3P and molecular weight 186.02 g/mol. IUPAC: 1-[chloromethyl(ethoxy)phosphoryl]oxyethane.
Chemical Property Profile of Phosphonic acid, P-(chloromethyl)-, diethyl ester
Property Insights of Phosphonic acid, P-(chloromethyl)-, diethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, P-(chloromethyl)-, diethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, P-(chloromethyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, P-(chloromethyl)-, diethyl ester has 0 hydrogen bond donor(s) and 3 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, P-(chloromethyl)-, diethyl ester?
The CAS number of Phosphonic acid, P-(chloromethyl)-, diethyl ester is 3167-63-3.
What is the molecular formula of Phosphonic acid, P-(chloromethyl)-, diethyl ester?
The molecular formula of Phosphonic acid, P-(chloromethyl)-, diethyl ester is C5H12ClO3P.
What is the molecular weight of Phosphonic acid, P-(chloromethyl)-, diethyl ester?
The molecular weight of Phosphonic acid, P-(chloromethyl)-, diethyl ester is 186.02 g/mol.
Where can I buy Phosphonic acid, P-(chloromethyl)-, diethyl ester?
You can request a quote for Phosphonic acid, P-(chloromethyl)-, diethyl 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, P-(chloromethyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, P-(chloromethyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.