6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde
TL;DR: 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde (CAS 17459-32-4) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carbaldehyde
Also Known As: 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde, AN-970/40920472, 4-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carbaldehyde, 4-hydroxy-3-oxo-cyclohepta-1,4,6-triene-1-carbaldehyde, 4-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carbaldehyde
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 0.5649 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 330.4185 |
Chemical Identifiers
| CAS Number | 17459-32-4 |
|---|---|
| SMILES | C1=CC(=CC(=O)C(=C1)O)C=O |
Product Overview
6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde (CAS 17459-32-4), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 4-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carbaldehyde.
Chemical Property Profile of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde
Property Insights of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde
The XLogP value of 0.5649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde. With a topological polar surface area (TPSA) of 54.37 Ų, 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde has 1 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 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde?
The CAS number of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde is 17459-32-4.
What is the molecular formula of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde?
The molecular formula of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde is C8H6O3.
What is the molecular weight of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde?
The molecular weight of 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde is 150.03 g/mol.
Where can I buy 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde?
You can request a quote for 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.