8-Bromo-4-cinnolinol
TL;DR: 8-Bromo-4-cinnolinol (CAS 876-74-4) 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.
8-bromo-1H-cinnolin-4-one
Also Known As: 8-Bromo-4-cinnolinol, 8-bromocinnolin-4(1h)-one, 8-bromocinnolin-4-ol, 8-bromo-1H-cinnolin-4-one, 4-CINNOLINOL, 8-BROMO-
| Molecular Formula | C8H5BrN2O |
|---|---|
| Molecular Weight | 223.96 g/mol |
| LogP | 2.0 |
| 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 | 876-74-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Br)NN=CC2=O |
| InChIKey | SIGFMNHXOPEYQN-UHFFFAOYSA-N |
Product Overview
8-Bromo-4-cinnolinol (CAS 876-74-4), with molecular formula C8H5BrN2O and molecular weight 223.96 g/mol. IUPAC: 8-bromo-1H-cinnolin-4-one.
Chemical Property Profile of 8-Bromo-4-cinnolinol
Property Insights of 8-Bromo-4-cinnolinol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-4-cinnolinol. With a topological polar surface area (TPSA) of 41.5 Ų, 8-Bromo-4-cinnolinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-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 8-Bromo-4-cinnolinol?
The CAS number of 8-Bromo-4-cinnolinol is 876-74-4.
What is the molecular formula of 8-Bromo-4-cinnolinol?
The molecular formula of 8-Bromo-4-cinnolinol is C8H5BrN2O.
What is the molecular weight of 8-Bromo-4-cinnolinol?
The molecular weight of 8-Bromo-4-cinnolinol is 223.96 g/mol.
Where can I buy 8-Bromo-4-cinnolinol?
You can request a quote for 8-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 8-Bromo-4-cinnolinol?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-4-cinnolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.