beta-(Acetylthio)benzenepropanoic acid
TL;DR: beta-(Acetylthio)benzenepropanoic acid (CAS 51550-47-1) is a chemical compound with molecular formula C11H12O3S and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylsulfanyl-3-phenylpropanoic acid
Also Known As: beta-(Acetylthio)benzenepropanoic acid, 3-(acetylthio)-3-phenylpropanoic acid, 3-acetylthio-3-phenylpropanoic acid, I(2)-(Acetylthio)benzenepropanoic acid, 3-acetylsulfanyl-3-phenylpropanoic acid
| Molecular Formula | C11H12O3S |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 2.4821 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.05072 |
| Heavy Atoms | 15 |
| Complexity | 332.11047 |
Chemical Identifiers
| CAS Number | 51550-47-1 |
|---|---|
| SMILES | CC(=O)SC(CC(=O)O)C1=CC=CC=C1 |
Product Overview
beta-(Acetylthio)benzenepropanoic acid (CAS 51550-47-1), with molecular formula C11H12O3S and molecular weight 224.05 g/mol. IUPAC: 3-acetylsulfanyl-3-phenylpropanoic acid.
Chemical Property Profile of beta-(Acetylthio)benzenepropanoic acid
Property Insights of beta-(Acetylthio)benzenepropanoic acid
The XLogP value of 2.4821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-(Acetylthio)benzenepropanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, beta-(Acetylthio)benzenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-(Acetylthio)benzenepropanoic 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 beta-(Acetylthio)benzenepropanoic acid?
The CAS number of beta-(Acetylthio)benzenepropanoic acid is 51550-47-1.
What is the molecular formula of beta-(Acetylthio)benzenepropanoic acid?
The molecular formula of beta-(Acetylthio)benzenepropanoic acid is C11H12O3S.
What is the molecular weight of beta-(Acetylthio)benzenepropanoic acid?
The molecular weight of beta-(Acetylthio)benzenepropanoic acid is 224.05 g/mol.
Where can I buy beta-(Acetylthio)benzenepropanoic acid?
You can request a quote for beta-(Acetylthio)benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(Acetylthio)benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-(Acetylthio)benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.