6-Oxohexa-2,4-dienoic acid
TL;DR: 6-Oxohexa-2,4-dienoic acid (CAS 88973-46-0) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-6-oxohexa-2,4-dienoic acid
Also Known As: 6-Oxohexa-2,4-dienoic acid, 6-oxo-2,4-hexadienoic acid, 6-Oxo-trans,trans-2,4-hexadienoic acid, (E,E)-6-oxohexadienoic acid, 5-Formyl-2,4-pentadienoic acid
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.3823 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 155.68591 |
Chemical Identifiers
| CAS Number | 88973-46-0 |
|---|---|
| SMILES | C(=C/C=O)\C=C\C(=O)O |
Product Overview
6-Oxohexa-2,4-dienoic acid (CAS 88973-46-0), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: (2E,4E)-6-oxohexa-2,4-dienoic acid.
Chemical Property Profile of 6-Oxohexa-2,4-dienoic acid
Property Insights of 6-Oxohexa-2,4-dienoic acid
The XLogP value of 0.3823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxohexa-2,4-dienoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 6-Oxohexa-2,4-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxohexa-2,4-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 6-Oxohexa-2,4-dienoic acid?
The CAS number of 6-Oxohexa-2,4-dienoic acid is 88973-46-0.
What is the molecular formula of 6-Oxohexa-2,4-dienoic acid?
The molecular formula of 6-Oxohexa-2,4-dienoic acid is C6H6O3.
What is the molecular weight of 6-Oxohexa-2,4-dienoic acid?
The molecular weight of 6-Oxohexa-2,4-dienoic acid is 126.03 g/mol.
Where can I buy 6-Oxohexa-2,4-dienoic acid?
You can request a quote for 6-Oxohexa-2,4-dienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxohexa-2,4-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxohexa-2,4-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.