Ethyl heptyloxyacetate
TL;DR: Ethyl heptyloxyacetate (CAS 3938-81-6) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-heptoxyacetate
Also Known As: Ethyl heptyloxyacetate, ethyl 2-heptoxyacetate, Ethyl n-heptyloxyacetate, Ethyl N-heptyl-oxyacetate, ethyl(heptyloxy)acetate
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 3938-81-6 |
|---|---|
| SMILES | CCCCCCCOCC(=O)OCC |
| InChIKey | YLCDNDWOYHGDGP-UHFFFAOYSA-N |
Product Overview
Ethyl heptyloxyacetate (CAS 3938-81-6), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: ethyl 2-heptoxyacetate.
Chemical Property Profile of Ethyl heptyloxyacetate
Property Insights of Ethyl heptyloxyacetate
The XLogP value of 3.2 indicates that Ethyl heptyloxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl heptyloxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl heptyloxyacetate 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 Ethyl heptyloxyacetate?
The CAS number of Ethyl heptyloxyacetate is 3938-81-6.
What is the molecular formula of Ethyl heptyloxyacetate?
The molecular formula of Ethyl heptyloxyacetate is C11H22O3.
What is the molecular weight of Ethyl heptyloxyacetate?
The molecular weight of Ethyl heptyloxyacetate is 202.16 g/mol.
Where can I buy Ethyl heptyloxyacetate?
You can request a quote for Ethyl heptyloxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl heptyloxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl heptyloxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.