2-Butoxyethyl isobutyrate
TL;DR: 2-Butoxyethyl isobutyrate (CAS 94108-58-4) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethyl 2-methylpropanoate
Also Known As: 2-Butoxyethyl isobutyrate, 2-butoxyethyl 2-methylpropanoate, EINECS 302-400-3, 2-Methylpropanoic acid 2-butoxyethyl ester, Propanoic acid, 2-methyl-, 2-butoxyethyl ester
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.0023 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 132.13155 |
Chemical Identifiers
| CAS Number | 94108-58-4 |
|---|---|
| SMILES | CCCCOCCOC(=O)C(C)C |
Product Overview
2-Butoxyethyl isobutyrate (CAS 94108-58-4), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 2-butoxyethyl 2-methylpropanoate.
Chemical Property Profile of 2-Butoxyethyl isobutyrate
Property Insights of 2-Butoxyethyl isobutyrate
The XLogP value of 2.0023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butoxyethyl isobutyrate. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Butoxyethyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butoxyethyl isobutyrate has 0 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 2-Butoxyethyl isobutyrate?
The CAS number of 2-Butoxyethyl isobutyrate is 94108-58-4.
What is the molecular formula of 2-Butoxyethyl isobutyrate?
The molecular formula of 2-Butoxyethyl isobutyrate is C10H20O3.
What is the molecular weight of 2-Butoxyethyl isobutyrate?
The molecular weight of 2-Butoxyethyl isobutyrate is 188.14 g/mol.
Where can I buy 2-Butoxyethyl isobutyrate?
You can request a quote for 2-Butoxyethyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxyethyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxyethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.