Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride (CAS 15504-11-7) is a chemical compound with molecular formula C15H24ClNO2S and molecular weight 317.12164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-ethoxybenzenecarbothioyl)oxyethyl-diethylazanium chloride
Also Known As: p-Ethoxythiobenzoic acid O-2-(diethylamino)ethyl ester hydrochloride, BENZOIC ACID, p-ETHOXYTHIO-, O-2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(4-ethoxybenzenecarbothioyl)oxyethyl-diethylazanium chloride
Technical Specifications
| Molecular Formula | C15H24ClNO2S |
| Molecular Weight | 317.12164 g/mol |
| XLogP | -1.29 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.12164 Da |
| Heavy Atoms | 20 |
| Complexity | 249.0 |
| SMILES | CC[NH+](CC)CCOC(=S)C1=CC=C(C=C1)OCC.[Cl-] |
| InChIKey | JWLUSRATLCYJCD-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -1.29 indicates that Benzoic acid, p-ethoxythio-, O-2-(diethylamino)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-(diethylamino)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-(diethylamino)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
What is the CAS number of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride is 15504-11-7.
What is the molecular formula of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride is C15H24ClNO2S.
What is the molecular weight of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride is 317.12164 g/mol.
Where can I buy Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.