Butanoic acid, 2-hydroxy-3,3-dimethyl-
TL;DR: Butanoic acid, 2-hydroxy-3,3-dimethyl- (CAS 4026-20-4) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,3-dimethylbutanoic acid
Also Known As: 2-Hydroxy-3,3-dimethylbutanoic acid, 2-Hydroxy-3,3-dimethylbutyric acid, DHBA, Butanoic acid, 2-hydroxy-3,3-dimethyl-, tert-Butylglycolic acid
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 4026-20-4 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)O)O |
| InChIKey | FWVNWTNCNWRCOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-hydroxy-3,3-dimethyl- (CAS 4026-20-4), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 2-hydroxy-3,3-dimethylbutanoic acid.
Chemical Property Profile of Butanoic acid, 2-hydroxy-3,3-dimethyl-
Property Insights of Butanoic acid, 2-hydroxy-3,3-dimethyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-hydroxy-3,3-dimethyl-. With a topological polar surface area (TPSA) of 57.5 Ų, Butanoic acid, 2-hydroxy-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-hydroxy-3,3-dimethyl- 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 Butanoic acid, 2-hydroxy-3,3-dimethyl-?
The CAS number of Butanoic acid, 2-hydroxy-3,3-dimethyl- is 4026-20-4.
What is the molecular formula of Butanoic acid, 2-hydroxy-3,3-dimethyl-?
The molecular formula of Butanoic acid, 2-hydroxy-3,3-dimethyl- is C6H12O3.
What is the molecular weight of Butanoic acid, 2-hydroxy-3,3-dimethyl-?
The molecular weight of Butanoic acid, 2-hydroxy-3,3-dimethyl- is 132.08 g/mol.
Where can I buy Butanoic acid, 2-hydroxy-3,3-dimethyl-?
You can request a quote for Butanoic acid, 2-hydroxy-3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-hydroxy-3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-hydroxy-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.