(S)-3-羟基丁酸
TL;DR: (S)-3-羟基丁酸 (CAS 6168-83-8) is a chemical compound with molecular formula C4H8O3 and molecular weight 104.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-3-羟基丁酸
(3S)-3-hydroxybutanoic acid
Also Known As: (S)-3-hydroxybutanoic acid, (S)-3-Hydroxybutyric acid, (3S)-3-hydroxybutanoic acid, (S)-3-Hydroxybutanoate, L-3-Hydroxybutyric acid
| Molecular Formula | C4H8O3 |
|---|---|
| Molecular Weight | 104.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.04734 |
| Heavy Atoms | 7 |
| Complexity | 69.0 |
| Melting Point | 45 - 48 °C |
Chemical Identifiers
| CAS Number | 6168-83-8 |
|---|---|
| SMILES | C[C@@H](CC(=O)O)O |
| InChIKey | WHBMMWSBFZVSSR-VKHMYHEASA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-3-羟基丁酸 (CAS 6168-83-8), with molecular formula C4H8O3 and molecular weight 104.05 g/mol. IUPAC: (3S)-3-hydroxybutanoic acid.
Chemical Property Profile of (S)-3-羟基丁酸
Property Insights of (S)-3-羟基丁酸
The XLogP value of -0.5 indicates that (S)-3-羟基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, (S)-3-羟基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-羟基丁酸 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 (S)-3-羟基丁酸?
The CAS number of (S)-3-羟基丁酸 is 6168-83-8.
What is the molecular formula of (S)-3-羟基丁酸?
The molecular formula of (S)-3-羟基丁酸 is C4H8O3.
What is the molecular weight of (S)-3-羟基丁酸?
The molecular weight of (S)-3-羟基丁酸 is 104.05 g/mol.
Where can I buy (S)-3-羟基丁酸?
You can request a quote for (S)-3-羟基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-羟基丁酸?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-羟基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.