Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester (CAS 26053-07-6) is a chemical compound with molecular formula C12H16ClO4PS and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[chloro(ethoxy)phosphinothioyl]oxybenzoate
Also Known As: Benzoic acid, 2-[(chloroethoxyphosphinothioyl)oxy]-, 1-methylethyl ester, isopropyl 2-{[chloro(ethoxy)phosphorothioyl]oxy}benzoate, Salicylic acid, isopropyl ester, O-ester with O-ethyl phosphorochloridothioate, Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester, propan-2-yl 2-[chloro(ethoxy)phosphinothioyl]oxybenzoate
| Molecular Formula | C12H16ClO4PS |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.01953 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 26053-07-6 |
|---|---|
| SMILES | CCOP(=S)(OC1=CC=CC=C1C(=O)OC(C)C)Cl |
| InChIKey | DLSOVRGYGRIPHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester (CAS 26053-07-6), with molecular formula C12H16ClO4PS and molecular weight 322.02 g/mol. IUPAC: propan-2-yl 2-[chloro(ethoxy)phosphinothioyl]oxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester
The XLogP value of 4.3 indicates that Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester 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 Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester is 26053-07-6.
What is the molecular formula of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester is C12H16ClO4PS.
What is the molecular weight of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester is 322.02 g/mol.
Where can I buy Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl 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-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((chloroethoxyphosphinothioyl)oxy)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.