5-Chloro-2-hydroxymuconic semialdehyde
TL;DR: 5-Chloro-2-hydroxymuconic semialdehyde (CAS 8060-80-8) 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.
(3E,5Z)-5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
Also Known As: 5-Chloro-2-hydroxymuconic semialdehyde, 5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid, 2-Hydroxy-5-chloromuconic acid semialdehyde, 5-chloro-2-hydroxy-6-oxohexa-2,4-dienoic acid, (3E,5Z)-5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
| Molecular Formula | C6H5ClO4 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 0.8345 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.98764 |
| Heavy Atoms | 11 |
| Complexity | 228.73679 |
Chemical Identifiers
| CAS Number | 8060-80-8 |
|---|---|
| SMILES | C(=C/C(=O)C(=O)O)\C(=C\O)\Cl |
Product Overview
5-Chloro-2-hydroxymuconic semialdehyde (CAS 8060-80-8), with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol. IUPAC: (3E,5Z)-5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid.
Chemical Property Profile of 5-Chloro-2-hydroxymuconic semialdehyde
Property Insights of 5-Chloro-2-hydroxymuconic semialdehyde
The XLogP value of 0.8345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-hydroxymuconic semialdehyde. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-hydroxymuconic semialdehyde. Following Lipinski's Rule of Five, 5-Chloro-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 5-Chloro-2-hydroxymuconic semialdehyde?
The CAS number of 5-Chloro-2-hydroxymuconic semialdehyde is 8060-80-8.
What is the molecular formula of 5-Chloro-2-hydroxymuconic semialdehyde?
The molecular formula of 5-Chloro-2-hydroxymuconic semialdehyde is C6H5ClO4.
What is the molecular weight of 5-Chloro-2-hydroxymuconic semialdehyde?
The molecular weight of 5-Chloro-2-hydroxymuconic semialdehyde is 175.99 g/mol.
Where can I buy 5-Chloro-2-hydroxymuconic semialdehyde?
You can request a quote for 5-Chloro-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 5-Chloro-2-hydroxymuconic semialdehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-hydroxymuconic semialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.