Ethyl 2-methylheptanoate
TL;DR: Ethyl 2-methylheptanoate (CAS 37492-26-5) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylheptanoate
Also Known As: Ethyl 2-methylheptanoate, Amylpropionsaureathylester, ETHYL-2-OCANOATE, EINECS 253-527-5, Heptanoic acid, 2-methyl-, ethyl ester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.7659 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.00699 |
Chemical Identifiers
| CAS Number | 37492-26-5 |
|---|---|
| SMILES | CCCCCC(C)C(=O)OCC |
Product Overview
Ethyl 2-methylheptanoate (CAS 37492-26-5), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: ethyl 2-methylheptanoate.
Chemical Property Profile of Ethyl 2-methylheptanoate
Property Insights of Ethyl 2-methylheptanoate
The XLogP value of 2.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methylheptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-methylheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methylheptanoate 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 Ethyl 2-methylheptanoate?
The CAS number of Ethyl 2-methylheptanoate is 37492-26-5.
What is the molecular formula of Ethyl 2-methylheptanoate?
The molecular formula of Ethyl 2-methylheptanoate is C10H20O2.
What is the molecular weight of Ethyl 2-methylheptanoate?
The molecular weight of Ethyl 2-methylheptanoate is 172.15 g/mol.
Where can I buy Ethyl 2-methylheptanoate?
You can request a quote for Ethyl 2-methylheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methylheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methylheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.