Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester
TL;DR: Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester (CAS 7452-40-6) is a chemical compound with molecular formula C13H19O5PS and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diethoxyphosphinothioyloxybenzoate
Also Known As: ethyl 2-diethoxyphosphinothioyloxybenzoate, 2-((Diethoxyphosphinothioyl)oxy)benzoic acid ethyl ester, BENZOIC ACID, 2-((DIETHOXYPHOSPHINOTHIOYL)OXY)-, ETHYL ESTER, ethyl 2-[(diethoxyphosphorothioyl)oxy]benzoate, Ethyl 2-((diethoxyphosphorothioyl)oxy)benzoate
| Molecular Formula | C13H19O5PS |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.0691 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 7452-40-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1OP(=S)(OCC)OCC |
| InChIKey | YFUHISMUGZGZBH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester (CAS 7452-40-6), with molecular formula C13H19O5PS and molecular weight 318.07 g/mol. IUPAC: ethyl 2-diethoxyphosphinothioyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester
Property Insights of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester
The XLogP value of 3.5 indicates that Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester has 0 hydrogen bond donor(s) and 6 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 Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester?
The CAS number of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester is 7452-40-6.
What is the molecular formula of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester?
The molecular formula of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester is C13H19O5PS.
What is the molecular weight of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester?
The molecular weight of Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester is 318.07 g/mol.
Where can I buy Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester?
You can request a quote for Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.