Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate
TL;DR: Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate (CAS 906428-92-0) is a chemical compound with molecular formula C16H25O5P and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diethoxyphosphoryl-3-(4-methylphenyl)propanoate
Also Known As: Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate, ethyl 2-diethoxyphosphoryl-3-(4-methylphenyl)propanoate, ethyl 2-(diethoxyphosphoryl)-3-(4-methylphenyl)propanoate
| Molecular Formula | C16H25O5P |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.14395 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 906428-92-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)C)P(=O)(OCC)OCC |
| InChIKey | WWELYOWZXQUUBU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate (CAS 906428-92-0), with molecular formula C16H25O5P and molecular weight 328.14 g/mol. IUPAC: ethyl 2-diethoxyphosphoryl-3-(4-methylphenyl)propanoate.
Chemical Property Profile of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate
Property Insights of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)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 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate?
The CAS number of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate is 906428-92-0.
What is the molecular formula of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate?
The molecular formula of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate is C16H25O5P.
What is the molecular weight of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate?
The molecular weight of Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate is 328.14 g/mol.
Where can I buy Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate?
You can request a quote for Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(diethoxyphosphoryl)-3-(p-tolyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.