2,5-Hexadienoic acid, methyl ester
TL;DR: 2,5-Hexadienoic acid, methyl ester (CAS 37616-27-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hexa-2,5-dienoate
Also Known As: methyl hexa-2,5-dienoate, Methyl-2,4-hexadienoat, 2,5-Hexadienoic acid, methyl ester, 2,5-Hexadienoic acid, methyl ester, (2E)-, RefChem:247713
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 37616-27-6 |
|---|---|
| SMILES | COC(=O)C=CCC=C |
| InChIKey | ODLGSRPFJDMGNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Hexadienoic acid, methyl ester (CAS 37616-27-6), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: methyl hexa-2,5-dienoate.
Chemical Property Profile of 2,5-Hexadienoic acid, methyl ester
Property Insights of 2,5-Hexadienoic acid, methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Hexadienoic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2,5-Hexadienoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Hexadienoic 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 2,5-Hexadienoic acid, methyl ester?
The CAS number of 2,5-Hexadienoic acid, methyl ester is 37616-27-6.
What is the molecular formula of 2,5-Hexadienoic acid, methyl ester?
The molecular formula of 2,5-Hexadienoic acid, methyl ester is C7H10O2.
What is the molecular weight of 2,5-Hexadienoic acid, methyl ester?
The molecular weight of 2,5-Hexadienoic acid, methyl ester is 126.07 g/mol.
Where can I buy 2,5-Hexadienoic acid, methyl ester?
You can request a quote for 2,5-Hexadienoic 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 2,5-Hexadienoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Hexadienoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.