5-Cyanotropolone
TL;DR: 5-Cyanotropolone (CAS 32663-97-1) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carbonitrile
Also Known As: 5-Cyanotropolone, ethyl 2-pyridin-4-ylbenzoate, 2-dec-2-en-3-yl-1H-indole, 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carbonitrile, 1,3,6-Cycloheptatriene-1-carbonitrile, 4-hydroxy-5-oxo-
| Molecular Formula | C8H5NO2 |
|---|---|
| Molecular Weight | 147.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.03203 |
| Heavy Atoms | 11 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 32663-97-1 |
|---|---|
| SMILES | C1=CC(=O)C(=CC=C1C#N)O |
| InChIKey | FUKXHWQWIFJSRA-UHFFFAOYSA-N |
Product Overview
5-Cyanotropolone (CAS 32663-97-1), with molecular formula C8H5NO2 and molecular weight 147.03 g/mol. IUPAC: 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carbonitrile.
Chemical Property Profile of 5-Cyanotropolone
Property Insights of 5-Cyanotropolone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyanotropolone. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyanotropolone. Following Lipinski's Rule of Five, 5-Cyanotropolone 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 5-Cyanotropolone?
The CAS number of 5-Cyanotropolone is 32663-97-1.
What is the molecular formula of 5-Cyanotropolone?
The molecular formula of 5-Cyanotropolone is C8H5NO2.
What is the molecular weight of 5-Cyanotropolone?
The molecular weight of 5-Cyanotropolone is 147.03 g/mol.
Where can I buy 5-Cyanotropolone?
You can request a quote for 5-Cyanotropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyanotropolone?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyanotropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.