4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester
TL;DR: 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester (CAS 80348-48-7) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate
Also Known As: ethyl 3,3,6-trimethyl-4,6-heptadienoate, ethyl 3,3,6-trimethylhepta-4,6-dienoate, ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate, 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester, Ethyl (4E)-3,3,6-trimethyl-4,6-heptadienoate #
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.0981 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 236.70628 |
Chemical Identifiers
| CAS Number | 80348-48-7 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)/C=C/C(=C)C |
Product Overview
4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester (CAS 80348-48-7), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate.
Chemical Property Profile of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester
Property Insights of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester
The XLogP value of 3.0981 indicates that 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Heptadienoic acid, 3,3,6-trimethyl-, 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 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester?
The CAS number of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester is 80348-48-7.
What is the molecular formula of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester?
The molecular formula of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester is C12H20O2.
What is the molecular weight of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester?
The molecular weight of 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester is 196.15 g/mol.
Where can I buy 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester?
You can request a quote for 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.