Methyl 2,3,3-trimethylbutanoate
TL;DR: Methyl 2,3,3-trimethylbutanoate (CAS 19910-30-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,3-trimethylbutanoate
Also Known As: Methyl 2,3,3-trimethylbutanoate, Methyl 2,3,3-trimethylbutyrate, 2,3,3-Trimethylbutanoic acid methyl ester, Butanoic acid, 2,3,3-trimethyl-, methyl ester, 2,3,3-Trimethylbutyric acid methyl ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 19910-30-6 |
|---|---|
| SMILES | CC(C(=O)OC)C(C)(C)C |
| InChIKey | HLKQGJVFPKYPQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,3,3-trimethylbutanoate (CAS 19910-30-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: methyl 2,3,3-trimethylbutanoate.
Chemical Property Profile of Methyl 2,3,3-trimethylbutanoate
Property Insights of Methyl 2,3,3-trimethylbutanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3,3-trimethylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3,3-trimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,3-trimethylbutanoate has 0 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 Methyl 2,3,3-trimethylbutanoate?
The CAS number of Methyl 2,3,3-trimethylbutanoate is 19910-30-6.
What is the molecular formula of Methyl 2,3,3-trimethylbutanoate?
The molecular formula of Methyl 2,3,3-trimethylbutanoate is C8H16O2.
What is the molecular weight of Methyl 2,3,3-trimethylbutanoate?
The molecular weight of Methyl 2,3,3-trimethylbutanoate is 144.12 g/mol.
Where can I buy Methyl 2,3,3-trimethylbutanoate?
You can request a quote for Methyl 2,3,3-trimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,3-trimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,3-trimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.