Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate
TL;DR: Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate (CAS 20641-28-5) is a chemical compound with molecular formula C11H16ClO4P and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-diethoxyphosphorylmethanol
Also Known As: (4-chlorophenyl)-diethoxyphosphorylmethanol, Phosphonic acid, diethyl ester, Phosphonic acid, ((4-chlorophenyl)hydroxymethyl)-, diethyl ester, AI3-17767, diethyl [(4-chlorophenyl)(hydroxy)methyl]phosphonate
| Molecular Formula | C11H16ClO4P |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.0475 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 20641-28-5 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC=C(C=C1)Cl)O)OCC |
| InChIKey | RIQJHXWKWXDLFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate (CAS 20641-28-5), with molecular formula C11H16ClO4P and molecular weight 278.05 g/mol. IUPAC: (4-chlorophenyl)-diethoxyphosphorylmethanol.
Chemical Property Profile of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate
Property Insights of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate 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 Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate?
The CAS number of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate is 20641-28-5.
What is the molecular formula of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate?
The molecular formula of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate is C11H16ClO4P.
What is the molecular weight of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate?
The molecular weight of Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate is 278.05 g/mol.
Where can I buy Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate?
You can request a quote for Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.