3-(Hexadecylsulfanyl)benzoic acid
TL;DR: 3-(Hexadecylsulfanyl)benzoic acid (CAS 198972-06-4) 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.
3-hexadecylsulfanylbenzoic acid
Also Known As: 3-(Hexadecylsulfanyl)benzoic acid, 3-hexadecylsulfanylbenzoic Acid, 3-(hexadecylthio)benzoic acid
| Molecular Formula | C23H38O2S |
|---|---|
| Molecular Weight | 378.26 g/mol |
| LogP | 7.9582 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 378.25925 |
| Heavy Atoms | 26 |
| Complexity | 473.03055 |
Chemical Identifiers
| CAS Number | 198972-06-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=CC=CC(=C1)C(=O)O |
Product Overview
3-(Hexadecylsulfanyl)benzoic acid (CAS 198972-06-4), with molecular formula C23H38O2S and molecular weight 378.26 g/mol. IUPAC: 3-hexadecylsulfanylbenzoic acid.
Chemical Property Profile of 3-(Hexadecylsulfanyl)benzoic acid
Property Insights of 3-(Hexadecylsulfanyl)benzoic acid
The XLogP value of 7.9582 indicates that 3-(Hexadecylsulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Hexadecylsulfanyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hexadecylsulfanyl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Hexadecylsulfanyl)benzoic acid?
The CAS number of 3-(Hexadecylsulfanyl)benzoic acid is 198972-06-4.
What is the molecular formula of 3-(Hexadecylsulfanyl)benzoic acid?
The molecular formula of 3-(Hexadecylsulfanyl)benzoic acid is C23H38O2S.
What is the molecular weight of 3-(Hexadecylsulfanyl)benzoic acid?
The molecular weight of 3-(Hexadecylsulfanyl)benzoic acid is 378.26 g/mol.
Where can I buy 3-(Hexadecylsulfanyl)benzoic acid?
You can request a quote for 3-(Hexadecylsulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexadecylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexadecylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.