4-Methylhexa-3,5-dienoic acid
TL;DR: 4-Methylhexa-3,5-dienoic acid (CAS 95421-98-0) 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.
4-methylhexa-3,5-dienoic acid
Also Known As: 4-methylhexa-3,5-dienoic acid, (3E)-4-methylhexa-3,5-dienoic acid, 3,5-Hexadienoic acid, 4-methyl-, (E)-
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 95421-98-0 |
|---|---|
| SMILES | CC(=CCC(=O)O)C=C |
| InChIKey | BFUYPWNVMSXEQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylhexa-3,5-dienoic acid (CAS 95421-98-0), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 4-methylhexa-3,5-dienoic acid.
Chemical Property Profile of 4-Methylhexa-3,5-dienoic acid
Property Insights of 4-Methylhexa-3,5-dienoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylhexa-3,5-dienoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Methylhexa-3,5-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylhexa-3,5-dienoic acid has 1 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-Methylhexa-3,5-dienoic acid?
The CAS number of 4-Methylhexa-3,5-dienoic acid is 95421-98-0.
What is the molecular formula of 4-Methylhexa-3,5-dienoic acid?
The molecular formula of 4-Methylhexa-3,5-dienoic acid is C7H10O2.
What is the molecular weight of 4-Methylhexa-3,5-dienoic acid?
The molecular weight of 4-Methylhexa-3,5-dienoic acid is 126.07 g/mol.
Where can I buy 4-Methylhexa-3,5-dienoic acid?
You can request a quote for 4-Methylhexa-3,5-dienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylhexa-3,5-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylhexa-3,5-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.