Diethyl (2-chloro-6-fluorobenzyl)phosphonate
TL;DR: Diethyl (2-chloro-6-fluorobenzyl)phosphonate (CAS 680214-57-7) is a chemical compound with molecular formula C11H15ClFO3P and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(diethoxyphosphorylmethyl)-3-fluorobenzene
Also Known As: diethyl (2-chloro-6-fluorobenzyl)phosphonate, 1-chloro-2-(diethoxyphosphorylmethyl)-3-fluorobenzene, diethyl (2-chloro-6-fluorophenyl)methylphosphonate, diethyl [(2-chloro-6-fluorophenyl)methyl]phosphonate, 1-chloro-2-(diethoxyphosphorylmethyl)-3-fluoro-benzene
| Molecular Formula | C11H15ClFO3P |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 4.2452 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.04315 |
| Heavy Atoms | 17 |
| Complexity | 394.9276 |
Chemical Identifiers
| CAS Number | 680214-57-7 |
|---|---|
| SMILES | CCOP(=O)(CC1=C(C=CC=C1Cl)F)OCC |
Product Overview
Diethyl (2-chloro-6-fluorobenzyl)phosphonate (CAS 680214-57-7), with molecular formula C11H15ClFO3P and molecular weight 280.04 g/mol. IUPAC: 1-chloro-2-(diethoxyphosphorylmethyl)-3-fluorobenzene.
Chemical Property Profile of Diethyl (2-chloro-6-fluorobenzyl)phosphonate
Property Insights of Diethyl (2-chloro-6-fluorobenzyl)phosphonate
The XLogP value of 4.2452 indicates that Diethyl (2-chloro-6-fluorobenzyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Diethyl (2-chloro-6-fluorobenzyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-chloro-6-fluorobenzyl)phosphonate 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 (2-chloro-6-fluorobenzyl)phosphonate?
The CAS number of Diethyl (2-chloro-6-fluorobenzyl)phosphonate is 680214-57-7.
What is the molecular formula of Diethyl (2-chloro-6-fluorobenzyl)phosphonate?
The molecular formula of Diethyl (2-chloro-6-fluorobenzyl)phosphonate is C11H15ClFO3P.
What is the molecular weight of Diethyl (2-chloro-6-fluorobenzyl)phosphonate?
The molecular weight of Diethyl (2-chloro-6-fluorobenzyl)phosphonate is 280.04 g/mol.
Where can I buy Diethyl (2-chloro-6-fluorobenzyl)phosphonate?
You can request a quote for Diethyl (2-chloro-6-fluorobenzyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-chloro-6-fluorobenzyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-chloro-6-fluorobenzyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.