Ethyl 4-(diethoxyphosphoryl)benzoate
TL;DR: Ethyl 4-(diethoxyphosphoryl)benzoate (CAS 17067-92-4) is a chemical compound with molecular formula C13H19O5P and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-diethoxyphosphorylbenzoate
Also Known As: Ethyl 4-(diethoxyphosphoryl)benzoate, Ethyl 4-diethoxyphosphorylbenzoate, 4-(Diethoxy-phosphoryl)-benzoic acid ethyl ester, Ethyl4-(diethoxyphosphoryl)benzoate, diethyl 4-ethoxycarbonylphenylphosphonate
| Molecular Formula | C13H19O5P |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.7547 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.09702 |
| Heavy Atoms | 19 |
| Complexity | 444.60632 |
Chemical Identifiers
| CAS Number | 17067-92-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)P(=O)(OCC)OCC |
Product Overview
Ethyl 4-(diethoxyphosphoryl)benzoate (CAS 17067-92-4), with molecular formula C13H19O5P and molecular weight 286.10 g/mol. IUPAC: ethyl 4-diethoxyphosphorylbenzoate.
Chemical Property Profile of Ethyl 4-(diethoxyphosphoryl)benzoate
Property Insights of Ethyl 4-(diethoxyphosphoryl)benzoate
The XLogP value of 2.7547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(diethoxyphosphoryl)benzoate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(diethoxyphosphoryl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(diethoxyphosphoryl)benzoate 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 4-(diethoxyphosphoryl)benzoate?
The CAS number of Ethyl 4-(diethoxyphosphoryl)benzoate is 17067-92-4.
What is the molecular formula of Ethyl 4-(diethoxyphosphoryl)benzoate?
The molecular formula of Ethyl 4-(diethoxyphosphoryl)benzoate is C13H19O5P.
What is the molecular weight of Ethyl 4-(diethoxyphosphoryl)benzoate?
The molecular weight of Ethyl 4-(diethoxyphosphoryl)benzoate is 286.10 g/mol.
Where can I buy Ethyl 4-(diethoxyphosphoryl)benzoate?
You can request a quote for Ethyl 4-(diethoxyphosphoryl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(diethoxyphosphoryl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(diethoxyphosphoryl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.