3-羟基异丁酸
TL;DR: 3-羟基异丁酸 (CAS 2068-83-9) 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.
3-羟基异丁酸
3-hydroxy-2-methylpropanoic acid
Also Known As: 3-Hydroxyisobutyric acid, 3-Hydroxy-2-methylpropanoic acid, Acetonate, AzureII, rac 3-Hydroxyisobutyric Acid
| Molecular Formula | C4H8O3 |
|---|---|
| Molecular Weight | 104.05 g/mol |
| LogP | -0.4 |
| 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 |
Chemical Identifiers
| CAS Number | 2068-83-9 |
|---|---|
| SMILES | CC(CO)C(=O)O |
| InChIKey | DBXBTMSZEOQQDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基异丁酸 (CAS 2068-83-9), with molecular formula C4H8O3 and molecular weight 104.05 g/mol. IUPAC: 3-hydroxy-2-methylpropanoic acid.
Chemical Property Profile of 3-羟基异丁酸
Property Insights of 3-羟基异丁酸
The XLogP value of -0.4 indicates that 3-羟基异丁酸 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, 3-羟基异丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基异丁酸 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-羟基异丁酸?
The CAS number of 3-羟基异丁酸 is 2068-83-9.
What is the molecular formula of 3-羟基异丁酸?
The molecular formula of 3-羟基异丁酸 is C4H8O3.
What is the molecular weight of 3-羟基异丁酸?
The molecular weight of 3-羟基异丁酸 is 104.05 g/mol.
Where can I buy 3-羟基异丁酸?
You can request a quote for 3-羟基异丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基异丁酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基异丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.