Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride (CAS 16780-24-8) is a chemical compound with molecular formula C13H20ClNO2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxybenzenecarbothioyl)oxyethyl-dimethylazanium chloride
Also Known As: p-Ethoxythiobenzoic acid O-2-(dimethylamino)ethyl ester hydrochloride, BENZOIC ACID, p-ETHOXYTHIO-, O-2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(4-ethoxybenzenecarbothioyl)oxyethyl-dimethylazanium chloride, RefChem:327938
| Molecular Formula | C13H20ClNO2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | -2.07 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.09033 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 16780-24-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=S)OCC[NH+](C)C.[Cl-] |
| InChIKey | WPLKYOAWGXJWAW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride (CAS 16780-24-8), with molecular formula C13H20ClNO2S and molecular weight 289.09 g/mol. IUPAC: 2-(4-ethoxybenzenecarbothioyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride
The XLogP value of -2.07 indicates that Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.0 Ų, Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride is 16780-24-8.
What is the molecular formula of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride is C13H20ClNO2S.
What is the molecular weight of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride is 289.09 g/mol.
Where can I buy Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.