D-beta-acetylthioisobutyric acid
TL;DR: D-beta-acetylthioisobutyric acid (CAS 74431-52-0) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-acetylsulfanyl-2-methylpropanoic acid
Also Known As: Captopril RC 6, (S)-(-)-3-(Acetylthio)-2-methylpropionic Acid, Captopril Impurity K, Captopril Impurity V, (s)-3-acetylthio-2-methylpropionic acid
| Molecular Formula | C6H10O3S |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.9868 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.03506 |
| Heavy Atoms | 10 |
| Complexity | 143.92836 |
Chemical Identifiers
| CAS Number | 74431-52-0 |
|---|---|
| SMILES | C[C@H](CSC(=O)C)C(=O)O |
Product Overview
D-beta-acetylthioisobutyric acid (CAS 74431-52-0), with molecular formula C6H10O3S and molecular weight 162.04 g/mol. IUPAC: (2S)-3-acetylsulfanyl-2-methylpropanoic acid.
Chemical Property Profile of D-beta-acetylthioisobutyric acid
Property Insights of D-beta-acetylthioisobutyric acid
The XLogP value of 0.9868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-beta-acetylthioisobutyric acid. With a topological polar surface area (TPSA) of 54.37 Ų, D-beta-acetylthioisobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D-beta-acetylthioisobutyric 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 D-beta-acetylthioisobutyric acid?
The CAS number of D-beta-acetylthioisobutyric acid is 74431-52-0.
What is the molecular formula of D-beta-acetylthioisobutyric acid?
The molecular formula of D-beta-acetylthioisobutyric acid is C6H10O3S.
What is the molecular weight of D-beta-acetylthioisobutyric acid?
The molecular weight of D-beta-acetylthioisobutyric acid is 162.04 g/mol.
Where can I buy D-beta-acetylthioisobutyric acid?
You can request a quote for D-beta-acetylthioisobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-beta-acetylthioisobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for D-beta-acetylthioisobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.