2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-
TL;DR: 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- (CAS 53771-48-5) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,7-dimethylocta-2,4,6-trienoate
Also Known As: methyl 3,7-dimethylocta-2,4,6-trienoate, 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-, 3,7-Dimethyl-octa-2t,4t,6-triensaeure-methylester, RefChem:245705
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 53771-48-5 |
|---|---|
| SMILES | CC(=CC=CC(=CC(=O)OC)C)C |
| InChIKey | MUIMRDAQSNCVEQ-UHFFFAOYSA-N |
Product Overview
2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- (CAS 53771-48-5), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: methyl 3,7-dimethylocta-2,4,6-trienoate.
Chemical Property Profile of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-
Property Insights of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-
The XLogP value of 3.5 indicates that 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- 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 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-?
The CAS number of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- is 53771-48-5.
What is the molecular formula of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-?
The molecular formula of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- is C11H16O2.
What is the molecular weight of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-?
The molecular weight of 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- is 180.12 g/mol.
Where can I buy 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-?
You can request a quote for 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Octatrienoic acid, 3,7-dimethyl-, methyl ester, (E,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.