3-(2-Naphthylthio)propionic acid
TL;DR: 3-(2-Naphthylthio)propionic acid (CAS 1141-58-8) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-naphthalen-2-ylsulfanylpropanoic acid
Also Known As: 3-(2-Naphthylthio)propionic acid, 3-(Naphthalen-2-ylthio)propanoic acid, Maybridge3_005839, 3-(naphthalen-2-ylsulfanyl)propanoic acid, 3-(2-naphthylthio)propanoic acid
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1141-58-8 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)SCCC(=O)O |
| InChIKey | XMQJAJQNGNSZFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Naphthylthio)propionic acid (CAS 1141-58-8), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: 3-naphthalen-2-ylsulfanylpropanoic acid.
Chemical Property Profile of 3-(2-Naphthylthio)propionic acid
Property Insights of 3-(2-Naphthylthio)propionic acid
The XLogP value of 3.2 indicates that 3-(2-Naphthylthio)propionic 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 3-(2-Naphthylthio)propionic acid. Following Lipinski's Rule of Five, 3-(2-Naphthylthio)propionic 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 3-(2-Naphthylthio)propionic acid?
The CAS number of 3-(2-Naphthylthio)propionic acid is 1141-58-8.
What is the molecular formula of 3-(2-Naphthylthio)propionic acid?
The molecular formula of 3-(2-Naphthylthio)propionic acid is C13H12O2S.
What is the molecular weight of 3-(2-Naphthylthio)propionic acid?
The molecular weight of 3-(2-Naphthylthio)propionic acid is 232.06 g/mol.
Where can I buy 3-(2-Naphthylthio)propionic acid?
You can request a quote for 3-(2-Naphthylthio)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Naphthylthio)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Naphthylthio)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.