Hexa-2,4-dienoic acid methyl ester
TL;DR: Hexa-2,4-dienoic acid methyl ester (CAS 1515-80-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl hexa-2,4-dienoate
Also Known As: Methyl sorbate, Methyl hexa-2,4-dienoate, Methyl 2,4-hexadienoate, METHYLSORBATE, Sorbic acid, methyl ester
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.06808 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.06808 Da |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
| SMILES | CC=CC=CC(=O)OC |
| InChIKey | KWKVAGQCDSHWFK-UHFFFAOYSA-N |
Chemical Property Profile of Hexa-2,4-dienoic acid methyl ester
Property Insights of Hexa-2,4-dienoic acid methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexa-2,4-dienoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Hexa-2,4-dienoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-2,4-dienoic 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
What is the CAS number of Hexa-2,4-dienoic acid methyl ester?
The CAS number of Hexa-2,4-dienoic acid methyl ester is 1515-80-6.
What is the molecular formula of Hexa-2,4-dienoic acid methyl ester?
The molecular formula of Hexa-2,4-dienoic acid methyl ester is C7H10O2.
What is the molecular weight of Hexa-2,4-dienoic acid methyl ester?
The molecular weight of Hexa-2,4-dienoic acid methyl ester is 126.06808 g/mol.
Where can I buy Hexa-2,4-dienoic acid methyl ester?
You can request a quote for Hexa-2,4-dienoic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexa-2,4-dienoic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for Hexa-2,4-dienoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.