2-甲基丁酸乙酯
TL;DR: 2-甲基丁酸乙酯 (CAS 7452-79-1) 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-甲基丁酸乙酯
ethyl 2-methylbutanoate
Also Known As: Ethyl 2-methylbutyrate, ETHYL 2-METHYLBUTANOATE, Ethyl 2-methyl butyrate, Ethyl alpha-methylbutyrate, Butanoic acid, 2-methyl-, ethyl ester
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
| Boiling Point | 132.00 to 133.00 °C. @ 760.00 mm Hg |
| Density | 0.863-0.870 |
| Solubility | soluble in alcohol, propylene glycol; very slightly soluble in water; miscible with most fixed oils |
| Refractive Index | 1.393-1.400 |
Chemical Identifiers
| CAS Number | 7452-79-1 |
|---|---|
| SMILES | CCC(C)C(=O)OCC |
| InChIKey | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丁酸乙酯 (CAS 7452-79-1), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: ethyl 2-methylbutanoate.
Chemical Property Profile of 2-甲基丁酸乙酯
Property Insights of 2-甲基丁酸乙酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丁酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-甲基丁酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丁酸乙酯 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 2-甲基丁酸乙酯?
The CAS number of 2-甲基丁酸乙酯 is 7452-79-1.
What is the molecular formula of 2-甲基丁酸乙酯?
The molecular formula of 2-甲基丁酸乙酯 is C7H14O2.
What is the molecular weight of 2-甲基丁酸乙酯?
The molecular weight of 2-甲基丁酸乙酯 is 130.10 g/mol.
Where can I buy 2-甲基丁酸乙酯?
You can request a quote for 2-甲基丁酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.