ethyl octa-2,7-dienoate
TL;DR: ethyl octa-2,7-dienoate (CAS 55282-91-2) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl octa-2,7-dienoate
Also Known As: ethyl octa-2,7-dienoate, 2,7-Octadienoic acid, ethyl ester, (E)-
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 55282-91-2 |
|---|---|
| SMILES | CCOC(=O)C=CCCCC=C |
| InChIKey | YJMBTLPCWIGRGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl octa-2,7-dienoate (CAS 55282-91-2), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: ethyl octa-2,7-dienoate.
Chemical Property Profile of ethyl octa-2,7-dienoate
Property Insights of ethyl octa-2,7-dienoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl octa-2,7-dienoate. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl octa-2,7-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl octa-2,7-dienoate 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 octa-2,7-dienoate?
The CAS number of ethyl octa-2,7-dienoate is 55282-91-2.
What is the molecular formula of ethyl octa-2,7-dienoate?
The molecular formula of ethyl octa-2,7-dienoate is C10H16O2.
What is the molecular weight of ethyl octa-2,7-dienoate?
The molecular weight of ethyl octa-2,7-dienoate is 168.12 g/mol.
Where can I buy ethyl octa-2,7-dienoate?
You can request a quote for ethyl octa-2,7-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl octa-2,7-dienoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl octa-2,7-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.