3-Benzylthiopropionic acid
TL;DR: 3-Benzylthiopropionic acid (CAS 2899-66-3) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbutanethioic S-acid
Also Known As: 3-benzylthiopropionic acid, 4-phenylbutanethioic S-acid, 4-phenylbutanethioic Acid, 3-benzylthio propionic acid, 3-Benzyl(thiopropionic acid)
| Molecular Formula | C10H12OS |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 2.4657 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.06088 |
| Heavy Atoms | 12 |
| Complexity | 243.27531 |
Chemical Identifiers
| CAS Number | 2899-66-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(=O)S |
Product Overview
3-Benzylthiopropionic acid (CAS 2899-66-3), with molecular formula C10H12OS and molecular weight 180.06 g/mol. IUPAC: 4-phenylbutanethioic S-acid.
Chemical Property Profile of 3-Benzylthiopropionic acid
Property Insights of 3-Benzylthiopropionic acid
The XLogP value of 2.4657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylthiopropionic acid. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Benzylthiopropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylthiopropionic acid has 1 hydrogen bond donor(s) and 1 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-Benzylthiopropionic acid?
The CAS number of 3-Benzylthiopropionic acid is 2899-66-3.
What is the molecular formula of 3-Benzylthiopropionic acid?
The molecular formula of 3-Benzylthiopropionic acid is C10H12OS.
What is the molecular weight of 3-Benzylthiopropionic acid?
The molecular weight of 3-Benzylthiopropionic acid is 180.06 g/mol.
Where can I buy 3-Benzylthiopropionic acid?
You can request a quote for 3-Benzylthiopropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylthiopropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylthiopropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.