5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
TL;DR: 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid (CAS 76260-73-6) is a chemical compound with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
Also Known As: 5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid, 2-Hydroxy-5-chloromuconic acid semialdehyde, 2-Hydroxy-5-chloro-6-oxo-2,4-hexadienoic acid, (3E,5E)-5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
| Molecular Formula | C6H5ClO4 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.98764 |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 76260-73-6 |
|---|---|
| SMILES | C(=CC(=O)C(=O)O)C(=CO)Cl |
| InChIKey | MKQLZCILXXKHEB-UHFFFAOYSA-N |
Product Overview
5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid (CAS 76260-73-6), with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol. IUPAC: 5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid.
Chemical Property Profile of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
Property Insights of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid. Following Lipinski's Rule of Five, 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid has 2 hydrogen bond donor(s) and 4 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 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid?
The CAS number of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid is 76260-73-6.
What is the molecular formula of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid?
The molecular formula of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid is C6H5ClO4.
What is the molecular weight of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid?
The molecular weight of 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid is 175.99 g/mol.
Where can I buy 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid?
You can request a quote for 5-Chloro-6-hydroxy-2-oxohexa-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 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.