6-Bromo-4-cinnolinol
TL;DR: 6-Bromo-4-cinnolinol (CAS 89068-63-3) is a chemical compound with molecular formula C8H5BrN2O and molecular weight 223.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1H-cinnolin-4-one
Also Known As: 6-Bromocinnolin-4-ol, 6-bromocinnolin-4(1H)-one, 6-bromo-1H-cinnolin-4-one, 6-Bromo-4-cinnolinol, 6-bromo-4(1H)-Cinnolinone
| Molecular Formula | C8H5BrN2O |
|---|---|
| Molecular Weight | 223.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.95853 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 89068-63-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)C=NN2 |
| InChIKey | VWMHMZLZLNLBPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-4-cinnolinol (CAS 89068-63-3), with molecular formula C8H5BrN2O and molecular weight 223.96 g/mol. IUPAC: 6-bromo-1H-cinnolin-4-one.
Chemical Property Profile of 6-Bromo-4-cinnolinol
Property Insights of 6-Bromo-4-cinnolinol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-4-cinnolinol. With a topological polar surface area (TPSA) of 41.5 Ų, 6-Bromo-4-cinnolinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-4-cinnolinol 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-Bromo-4-cinnolinol?
The CAS number of 6-Bromo-4-cinnolinol is 89068-63-3.
What is the molecular formula of 6-Bromo-4-cinnolinol?
The molecular formula of 6-Bromo-4-cinnolinol is C8H5BrN2O.
What is the molecular weight of 6-Bromo-4-cinnolinol?
The molecular weight of 6-Bromo-4-cinnolinol is 223.96 g/mol.
Where can I buy 6-Bromo-4-cinnolinol?
You can request a quote for 6-Bromo-4-cinnolinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4-cinnolinol?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4-cinnolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.