4-(Octylthio)butyric acid
TL;DR: 4-(Octylthio)butyric acid (CAS 116346-23-7) is a chemical compound with molecular formula C12H24O2S and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octylsulfanylbutanoic acid
Also Known As: 4-(Octylthio)butyric acid, 4-(Octylthio)butanoic acid, 4-octylmercapto-butyric acid, 4-(octylsulfanyl)butanoic acid, 4-octylsulfanylbutanoic acid
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 232.1497 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 116346-23-7 |
|---|---|
| SMILES | CCCCCCCCSCCCC(=O)O |
| InChIKey | GUDSRDGLYIGGNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Octylthio)butyric acid (CAS 116346-23-7), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: 4-octylsulfanylbutanoic acid.
Chemical Property Profile of 4-(Octylthio)butyric acid
Property Insights of 4-(Octylthio)butyric acid
The XLogP value of 4.1 indicates that 4-(Octylthio)butyric 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 4-(Octylthio)butyric acid. Following Lipinski's Rule of Five, 4-(Octylthio)butyric acid has 1 hydrogen bond donor(s) and 3 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 4-(Octylthio)butyric acid?
The CAS number of 4-(Octylthio)butyric acid is 116346-23-7.
What is the molecular formula of 4-(Octylthio)butyric acid?
The molecular formula of 4-(Octylthio)butyric acid is C12H24O2S.
What is the molecular weight of 4-(Octylthio)butyric acid?
The molecular weight of 4-(Octylthio)butyric acid is 232.15 g/mol.
Where can I buy 4-(Octylthio)butyric acid?
You can request a quote for 4-(Octylthio)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Octylthio)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Octylthio)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.