Ethyl 3,7-dimethyloctanoate
TL;DR: Ethyl 3,7-dimethyloctanoate (CAS 5944-27-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,7-dimethyloctanoate
Also Known As: ethyl 3,7-dimethyloctanoate, Octanoic acid,3,7-dimethyl-,ethyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 5944-27-4 |
|---|---|
| SMILES | CCOC(=O)CC(C)CCCC(C)C |
| InChIKey | DGKFRSSCFLRUOO-UHFFFAOYSA-N |
Product Overview
Ethyl 3,7-dimethyloctanoate (CAS 5944-27-4), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: ethyl 3,7-dimethyloctanoate.
Chemical Property Profile of Ethyl 3,7-dimethyloctanoate
Property Insights of Ethyl 3,7-dimethyloctanoate
The XLogP value of 4.2 indicates that Ethyl 3,7-dimethyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,7-dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,7-dimethyloctanoate 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 3,7-dimethyloctanoate?
The CAS number of Ethyl 3,7-dimethyloctanoate is 5944-27-4.
What is the molecular formula of Ethyl 3,7-dimethyloctanoate?
The molecular formula of Ethyl 3,7-dimethyloctanoate is C12H24O2.
What is the molecular weight of Ethyl 3,7-dimethyloctanoate?
The molecular weight of Ethyl 3,7-dimethyloctanoate is 200.18 g/mol.
Where can I buy Ethyl 3,7-dimethyloctanoate?
You can request a quote for Ethyl 3,7-dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,7-dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,7-dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.