Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide
TL;DR: Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide (CAS 72305-96-5) is a chemical compound with molecular formula C11H14ClO5P and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) diethoxyphosphorylformate
Also Known As: (4-chlorophenyl) diethoxyphosphorylformate, Diethyl 4-chlorophenoxycarbonylphosphonate, Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide, 4-chlorophenyl diethoxyphosphinecarboxylate oxide, 4-Chlorophenyl diethoxy(oxo)-lambda~5~-phosphanecarboxylate
| Molecular Formula | C11H14ClO5P |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.02673 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 72305-96-5 |
|---|---|
| SMILES | CCOP(=O)(C(=O)OC1=CC=C(C=C1)Cl)OCC |
| InChIKey | UPNZNUZWFKDCQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide (CAS 72305-96-5), with molecular formula C11H14ClO5P and molecular weight 292.03 g/mol. IUPAC: (4-chlorophenyl) diethoxyphosphorylformate.
Chemical Property Profile of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide
Property Insights of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide. Following Lipinski's Rule of Five, Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide has 0 hydrogen bond donor(s) and 5 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 Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide?
The CAS number of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide is 72305-96-5.
What is the molecular formula of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide?
The molecular formula of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide is C11H14ClO5P.
What is the molecular weight of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide?
The molecular weight of Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide is 292.03 g/mol.
Where can I buy Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide?
You can request a quote for Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide?
Yes, KEHONG BIO provides custom synthesis services for Phosphinecarboxylic acid, diethoxy-, 4-chlorophenyl ester, oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.