Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester
TL;DR: Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester (CAS 67049-45-0) is a chemical compound with molecular formula C16H23NO2S and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl 3-ethylsulfanylbenzoate
Also Known As: beta-Piperidinoethyl m-ethylthiobenzoate, m-(Ethylthio)benzoic acid 2-piperidinoethyl ester, 2-Piperidinoethyl=m-(ethylthio)benzoate, BENZOIC ACID, m-(ETHYLTHIO)-, 2-PIPERIDINOETHYL ESTER, 4-20-00-00427 (Beilstein Handbook Reference)
| Molecular Formula | C16H23NO2S |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.14496 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 67049-45-0 |
|---|---|
| SMILES | CCSC1=CC=CC(=C1)C(=O)OCCN2CCCCC2 |
| InChIKey | XSGPCOQDFQBOGT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester (CAS 67049-45-0), with molecular formula C16H23NO2S and molecular weight 293.14 g/mol. IUPAC: 2-piperidin-1-ylethyl 3-ethylsulfanylbenzoate.
Chemical Property Profile of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester
Property Insights of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester
The XLogP value of 3.5 indicates that Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester has 0 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, m-(ethylthio)-, 2-piperidinoethyl ester?
The CAS number of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester is 67049-45-0.
What is the molecular formula of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester?
The molecular formula of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester is C16H23NO2S.
What is the molecular weight of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester?
The molecular weight of Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester is 293.14 g/mol.
Where can I buy Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester?
You can request a quote for Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl 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, m-(ethylthio)-, 2-piperidinoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.