2-(Hexadecylthio)benzoic acid
TL;DR: 2-(Hexadecylthio)benzoic acid (CAS 2182-24-3) is a chemical compound with molecular formula C23H38O2S and molecular weight 378.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecylsulfanylbenzoic acid
Also Known As: 2-(Hexadecylthio)benzoic acid, 2-(Hexadecylsulfanyl)benzoic acid, 2- BENZOICACID, o-(Hexadecylthio)benzoic acid, 2-hexadecylsulfanylbenzoic acid
| Molecular Formula | C23H38O2S |
|---|---|
| Molecular Weight | 378.26 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 378.25925 |
| Heavy Atoms | 26 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 2182-24-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=CC=CC=C1C(=O)O |
| InChIKey | BRIKRLUEFVZEQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hexadecylthio)benzoic acid (CAS 2182-24-3), with molecular formula C23H38O2S and molecular weight 378.26 g/mol. IUPAC: 2-hexadecylsulfanylbenzoic acid.
Chemical Property Profile of 2-(Hexadecylthio)benzoic acid
Property Insights of 2-(Hexadecylthio)benzoic acid
The XLogP value of 9.7 indicates that 2-(Hexadecylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hexadecylthio)benzoic acid. Following Lipinski's Rule of Five, 2-(Hexadecylthio)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Hexadecylthio)benzoic acid?
The CAS number of 2-(Hexadecylthio)benzoic acid is 2182-24-3.
What is the molecular formula of 2-(Hexadecylthio)benzoic acid?
The molecular formula of 2-(Hexadecylthio)benzoic acid is C23H38O2S.
What is the molecular weight of 2-(Hexadecylthio)benzoic acid?
The molecular weight of 2-(Hexadecylthio)benzoic acid is 378.26 g/mol.
Where can I buy 2-(Hexadecylthio)benzoic acid?
You can request a quote for 2-(Hexadecylthio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hexadecylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexadecylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.