Tert-butyl 2-methylbutanoate
TL;DR: Tert-butyl 2-methylbutanoate (CAS 25232-27-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-methylbutanoate
Also Known As: tert-butyl 2-methylbutanoate, tert-Pentyl butyrate, poly(tert-butyl acrylate), Butanoic acid, 2-methyl-, 1,1-dimethylethyl ester, 2-methyl-butyric acid tert-butyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 25232-27-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC(C)(C)C |
| InChIKey | LPSJKZWOLKMCCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 2-methylbutanoate (CAS 25232-27-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: tert-butyl 2-methylbutanoate.
Chemical Property Profile of Tert-butyl 2-methylbutanoate
Property Insights of Tert-butyl 2-methylbutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-methylbutanoate 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 Tert-butyl 2-methylbutanoate?
The CAS number of Tert-butyl 2-methylbutanoate is 25232-27-3.
What is the molecular formula of Tert-butyl 2-methylbutanoate?
The molecular formula of Tert-butyl 2-methylbutanoate is C9H18O2.
What is the molecular weight of Tert-butyl 2-methylbutanoate?
The molecular weight of Tert-butyl 2-methylbutanoate is 158.13 g/mol.
Where can I buy Tert-butyl 2-methylbutanoate?
You can request a quote for Tert-butyl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.