Diethyl 4-chlorobenzylphosphonate
TL;DR: Diethyl 4-chlorobenzylphosphonate (CAS 39225-17-7) is a chemical compound with molecular formula C11H16ClO3P and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(diethoxyphosphorylmethyl)benzene
Also Known As: Diethyl 4-chlorobenzylphosphonate, Diethyl (4-Chlorobenzyl)phosphonate, 1-chloro-4-(diethoxyphosphorylmethyl)benzene, Diethyl(4-chlorobenzyl)phosphonate, diethyl 4-chlorobenzylposphonate
| Molecular Formula | C11H16ClO3P |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.05255 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 39225-17-7 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)Cl)OCC |
| InChIKey | BVQPVBZRJSFOEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 4-chlorobenzylphosphonate (CAS 39225-17-7), with molecular formula C11H16ClO3P and molecular weight 262.05 g/mol. IUPAC: 1-chloro-4-(diethoxyphosphorylmethyl)benzene.
Chemical Property Profile of Diethyl 4-chlorobenzylphosphonate
Property Insights of Diethyl 4-chlorobenzylphosphonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-chlorobenzylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl 4-chlorobenzylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 4-chlorobenzylphosphonate 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 Diethyl 4-chlorobenzylphosphonate?
The CAS number of Diethyl 4-chlorobenzylphosphonate is 39225-17-7.
What is the molecular formula of Diethyl 4-chlorobenzylphosphonate?
The molecular formula of Diethyl 4-chlorobenzylphosphonate is C11H16ClO3P.
What is the molecular weight of Diethyl 4-chlorobenzylphosphonate?
The molecular weight of Diethyl 4-chlorobenzylphosphonate is 262.05 g/mol.
Where can I buy Diethyl 4-chlorobenzylphosphonate?
You can request a quote for Diethyl 4-chlorobenzylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-chlorobenzylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-chlorobenzylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.