2-Ethylheptyl isobutyrate
TL;DR: 2-Ethylheptyl isobutyrate (CAS 94200-07-4) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylheptyl 2-methylpropanoate
Also Known As: 2-Ethylheptyl isobutyrate, 2-ethylheptylisobutyrate, 2-ethylheptyl 2-methylpropanoate, EINECS 303-483-9, 2-Methylpropionic acid 2-ethylheptyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 3.7921 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 163.91888 |
Chemical Identifiers
| CAS Number | 94200-07-4 |
|---|---|
| SMILES | CCCCCC(CC)COC(=O)C(C)C |
Product Overview
2-Ethylheptyl isobutyrate (CAS 94200-07-4), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 2-ethylheptyl 2-methylpropanoate.
Chemical Property Profile of 2-Ethylheptyl isobutyrate
Property Insights of 2-Ethylheptyl isobutyrate
The XLogP value of 3.7921 indicates that 2-Ethylheptyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylheptyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylheptyl isobutyrate 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-Ethylheptyl isobutyrate?
The CAS number of 2-Ethylheptyl isobutyrate is 94200-07-4.
What is the molecular formula of 2-Ethylheptyl isobutyrate?
The molecular formula of 2-Ethylheptyl isobutyrate is C13H26O2.
What is the molecular weight of 2-Ethylheptyl isobutyrate?
The molecular weight of 2-Ethylheptyl isobutyrate is 214.19 g/mol.
Where can I buy 2-Ethylheptyl isobutyrate?
You can request a quote for 2-Ethylheptyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylheptyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylheptyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.