6-Methyl-2,4-heptadienoic acid ethyl ester
TL;DR: 6-Methyl-2,4-heptadienoic acid ethyl ester (CAS 112182-00-0) 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 6-methylhepta-2,4-dienoate
Also Known As: 2,4-Heptadienoic acid, 6-methyl-, ethyl ester, ETHYL 6-METHYLHEPTA-2,4-DIENOATE, 6-Methyl-2,4-heptadienoic acid ethyl ester, 2,4-Heptadienoic acid, 6-methyl-, ethyl ester, (2E,4E)-
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 112182-00-0 |
|---|---|
| SMILES | CCOC(=O)C=CC=CC(C)C |
| InChIKey | SFUYOPHWNDIHFL-UHFFFAOYSA-N |
Product Overview
6-Methyl-2,4-heptadienoic acid ethyl ester (CAS 112182-00-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: ethyl 6-methylhepta-2,4-dienoate.
Chemical Property Profile of 6-Methyl-2,4-heptadienoic acid ethyl ester
Property Insights of 6-Methyl-2,4-heptadienoic acid ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2,4-heptadienoic acid ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Methyl-2,4-heptadienoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2,4-heptadienoic acid ethyl ester 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 6-Methyl-2,4-heptadienoic acid ethyl ester?
The CAS number of 6-Methyl-2,4-heptadienoic acid ethyl ester is 112182-00-0.
What is the molecular formula of 6-Methyl-2,4-heptadienoic acid ethyl ester?
The molecular formula of 6-Methyl-2,4-heptadienoic acid ethyl ester is C10H16O2.
What is the molecular weight of 6-Methyl-2,4-heptadienoic acid ethyl ester?
The molecular weight of 6-Methyl-2,4-heptadienoic acid ethyl ester is 168.12 g/mol.
Where can I buy 6-Methyl-2,4-heptadienoic acid ethyl ester?
You can request a quote for 6-Methyl-2,4-heptadienoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2,4-heptadienoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2,4-heptadienoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.