2,4,6-Heptatrienoic acid, methyl ester
TL;DR: 2,4,6-Heptatrienoic acid, methyl ester (CAS 55833-81-3) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,4E)-hepta-2,4,6-trienoate
Also Known As: methyl 2,4,6-heptatrienoate, methyl hepta-2,4,6-trienoate, 2,4,6-Heptatrienoic acid methyl ester, 2,4,6-Heptatrienoic acid, methyl ester, Methyl (2E,4E)-2,4,6-heptatrienoate
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.4578 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 166.0964 |
Chemical Identifiers
| CAS Number | 55833-81-3 |
|---|---|
| SMILES | COC(=O)/C=C/C=C/C=C |
Product Overview
2,4,6-Heptatrienoic acid, methyl ester (CAS 55833-81-3), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: methyl (2E,4E)-hepta-2,4,6-trienoate.
Chemical Property Profile of 2,4,6-Heptatrienoic acid, methyl ester
Property Insights of 2,4,6-Heptatrienoic acid, methyl ester
The XLogP value of 1.4578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Heptatrienoic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4,6-Heptatrienoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Heptatrienoic acid, methyl 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 2,4,6-Heptatrienoic acid, methyl ester?
The CAS number of 2,4,6-Heptatrienoic acid, methyl ester is 55833-81-3.
What is the molecular formula of 2,4,6-Heptatrienoic acid, methyl ester?
The molecular formula of 2,4,6-Heptatrienoic acid, methyl ester is C8H10O2.
What is the molecular weight of 2,4,6-Heptatrienoic acid, methyl ester?
The molecular weight of 2,4,6-Heptatrienoic acid, methyl ester is 138.07 g/mol.
Where can I buy 2,4,6-Heptatrienoic acid, methyl ester?
You can request a quote for 2,4,6-Heptatrienoic acid, methyl ester 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-Heptatrienoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Heptatrienoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.