2-Hydroxymuconic semialdehyde
TL;DR: 2-Hydroxymuconic semialdehyde (CAS 77934-57-7) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5E)-6-hydroxy-2-oxohexa-3,5-dienoic acid
Also Known As: 2-Hydroxymuconic semialdehyde, secopyrocatechol, hydroxymuconicsemialdehyde, 2-Hydroxymuconate semialdehyde, Hydroxymuconic semialdehyde
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 0.268 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 189.9245 |
Chemical Identifiers
| CAS Number | 77934-57-7 |
|---|---|
| SMILES | C(=C/C(=O)C(=O)O)\C=C\O |
Product Overview
2-Hydroxymuconic semialdehyde (CAS 77934-57-7), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: (3E,5E)-6-hydroxy-2-oxohexa-3,5-dienoic acid.
Chemical Property Profile of 2-Hydroxymuconic semialdehyde
Property Insights of 2-Hydroxymuconic semialdehyde
The XLogP value of 0.268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxymuconic semialdehyde. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxymuconic semialdehyde. Following Lipinski's Rule of Five, 2-Hydroxymuconic semialdehyde has 2 hydrogen bond donor(s) and 3 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-Hydroxymuconic semialdehyde?
The CAS number of 2-Hydroxymuconic semialdehyde is 77934-57-7.
What is the molecular formula of 2-Hydroxymuconic semialdehyde?
The molecular formula of 2-Hydroxymuconic semialdehyde is C6H6O4.
What is the molecular weight of 2-Hydroxymuconic semialdehyde?
The molecular weight of 2-Hydroxymuconic semialdehyde is 142.03 g/mol.
Where can I buy 2-Hydroxymuconic semialdehyde?
You can request a quote for 2-Hydroxymuconic semialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxymuconic semialdehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxymuconic semialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.