2,2,3-Trimethylbutyric acid
TL;DR: 2,2,3-Trimethylbutyric acid (CAS 49714-52-5) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethylbutanoic acid
Also Known As: 2,2,3-trimethylbutanoic acid, 2,2,3-Trimethylbutyric acid, isopropylisobutyric acid, butanoic acid, 2,2,3-trimethyl-, 2,2,3-trimethyl-butyric acid
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 49714-52-5 |
|---|---|
| SMILES | CC(C)C(C)(C)C(=O)O |
| InChIKey | MLFLWIBXZIPYEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3-Trimethylbutyric acid (CAS 49714-52-5), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 2,2,3-trimethylbutanoic acid.
Chemical Property Profile of 2,2,3-Trimethylbutyric acid
Property Insights of 2,2,3-Trimethylbutyric acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-Trimethylbutyric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2,3-Trimethylbutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Trimethylbutyric acid has 1 hydrogen bond donor(s) and 2 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 2,2,3-Trimethylbutyric acid?
The CAS number of 2,2,3-Trimethylbutyric acid is 49714-52-5.
What is the molecular formula of 2,2,3-Trimethylbutyric acid?
The molecular formula of 2,2,3-Trimethylbutyric acid is C7H14O2.
What is the molecular weight of 2,2,3-Trimethylbutyric acid?
The molecular weight of 2,2,3-Trimethylbutyric acid is 130.10 g/mol.
Where can I buy 2,2,3-Trimethylbutyric acid?
You can request a quote for 2,2,3-Trimethylbutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-Trimethylbutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-Trimethylbutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.