Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate
TL;DR: Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate (CAS 35085-34-8) is a chemical compound with molecular formula C15H22ClO5P and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-2-diethoxyphosphorylpropanoate
Also Known As: Benzenepropanoic acid, ethyl ester, ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate, ethyl 3-(4-chlorophenyl)-2-diethoxyphosphorylpropanoate, benzenepropanoic acid, 4-chloro-, A-(diethoxyphosphinyl)-, ethyl ester
| Molecular Formula | C15H22ClO5P |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 348.08932 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 35085-34-8 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)Cl)P(=O)(OCC)OCC |
| InChIKey | VHFAWKBEYCWBFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate (CAS 35085-34-8), with molecular formula C15H22ClO5P and molecular weight 348.09 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-2-diethoxyphosphorylpropanoate.
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate
Property Insights of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate
The XLogP value of 3.1 indicates that Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate 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 Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate?
The CAS number of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate is 35085-34-8.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate?
The molecular formula of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate is C15H22ClO5P.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate?
The molecular weight of Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate is 348.09 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate?
You can request a quote for Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenyl)-2-(diethoxyphosphoryl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.