3-(Acetylthio)propionic Acid
TL;DR: 3-(Acetylthio)propionic Acid (CAS 41812-95-7) is a chemical compound with molecular formula C5H8O3S and molecular weight 148.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylsulfanylpropanoic acid
Also Known As: 3-(Acetylthio)propionic acid, 3-(acetylthio)propanoic acid, 3-acetylsulfanylpropanoic acid, 3-(acetylsulfanyl)propanoic acid, propanoic acid, 3-(acetylthio)-
| Molecular Formula | C5H8O3S |
|---|---|
| Molecular Weight | 148.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.01941 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 41812-95-7 |
|---|---|
| SMILES | CC(=O)SCCC(=O)O |
| InChIKey | AYQXANXXZYKTDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Acetylthio)propionic Acid (CAS 41812-95-7), with molecular formula C5H8O3S and molecular weight 148.02 g/mol. IUPAC: 3-acetylsulfanylpropanoic acid.
Chemical Property Profile of 3-(Acetylthio)propionic Acid
Property Insights of 3-(Acetylthio)propionic Acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetylthio)propionic Acid. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetylthio)propionic Acid. Following Lipinski's Rule of Five, 3-(Acetylthio)propionic Acid has 1 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 3-(Acetylthio)propionic Acid?
The CAS number of 3-(Acetylthio)propionic Acid is 41812-95-7.
What is the molecular formula of 3-(Acetylthio)propionic Acid?
The molecular formula of 3-(Acetylthio)propionic Acid is C5H8O3S.
What is the molecular weight of 3-(Acetylthio)propionic Acid?
The molecular weight of 3-(Acetylthio)propionic Acid is 148.02 g/mol.
Where can I buy 3-(Acetylthio)propionic Acid?
You can request a quote for 3-(Acetylthio)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-(Acetylthio)propionic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylthio)propionic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.