3-巯基异丁酸
TL;DR: 3-巯基异丁酸 (CAS 26473-47-2) is a chemical compound with molecular formula C4H8O2S and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-巯基异丁酸
2-methyl-3-sulfanylpropanoic acid
Also Known As: 3-Mercaptoisobutyric acid, 3-mercapto-2-methylpropanoic acid, Captopril EP Impurity C, 3-Mercapto-2-methylpropionic acid, 2-methyl-3-sulfanylpropanoic acid
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 26473-47-2 |
|---|---|
| SMILES | CC(CS)C(=O)O |
| InChIKey | MHRDCHHESNJQIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-巯基异丁酸 (CAS 26473-47-2), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: 2-methyl-3-sulfanylpropanoic acid.
Chemical Property Profile of 3-巯基异丁酸
Property Insights of 3-巯基异丁酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-巯基异丁酸. With a topological polar surface area (TPSA) of 38.3 Ų, 3-巯基异丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-巯基异丁酸 has 2 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-巯基异丁酸?
The CAS number of 3-巯基异丁酸 is 26473-47-2.
What is the molecular formula of 3-巯基异丁酸?
The molecular formula of 3-巯基异丁酸 is C4H8O2S.
What is the molecular weight of 3-巯基异丁酸?
The molecular weight of 3-巯基异丁酸 is 120.02 g/mol.
Where can I buy 3-巯基异丁酸?
You can request a quote for 3-巯基异丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-巯基异丁酸?
Yes, KEHONG BIO provides custom synthesis services for 3-巯基异丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.