Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride
TL;DR: Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride (CAS 16780-14-6) is a chemical compound with molecular formula C16H24ClNO2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride
Also Known As: p-Ethoxythiobenzoic acid O-2-piperidinoethyl ester hydrochloride, BENZOIC ACID, p-ETHOXYTHIO-, O-2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE, O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride, RefChem:327940
| Molecular Formula | C16H24ClNO2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.12164 |
| Heavy Atoms | 21 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 16780-14-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=S)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | WTMBCTFOGOHGDR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride (CAS 16780-14-6), with molecular formula C16H24ClNO2S and molecular weight 329.12 g/mol. IUPAC: O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride.
Chemical Property Profile of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride
Property Insights of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride
The XLogP value of -1.15 indicates that Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl 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-piperidinoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl 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-piperidinoethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride is 16780-14-6.
What is the molecular formula of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride is C16H24ClNO2S.
What is the molecular weight of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride is 329.12 g/mol.
Where can I buy Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl 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-piperidinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.