7-Chlorocinnolin-3-ol
TL;DR: 7-Chlorocinnolin-3-ol (CAS 101494-93-3) is a chemical compound with molecular formula C8H5ClN2O and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2H-cinnolin-3-one
Also Known As: 7-Chlorocinnolin-3-ol, 7-chlorocinnolin-3(2h)-one, 7-chloro-2H-cinnolin-3-one, 7-Chloro-3-cinnolinol, 3(2H)-Cinnolinone,7-chloro-
| Molecular Formula | C8H5ClN2O |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.00903 |
| Heavy Atoms | 12 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 101494-93-3 |
|---|---|
| SMILES | C1=CC(=CC2=NNC(=O)C=C21)Cl |
| InChIKey | XWBNQJIVYPOBNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chlorocinnolin-3-ol (CAS 101494-93-3), with molecular formula C8H5ClN2O and molecular weight 180.01 g/mol. IUPAC: 7-chloro-2H-cinnolin-3-one.
Chemical Property Profile of 7-Chlorocinnolin-3-ol
Property Insights of 7-Chlorocinnolin-3-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chlorocinnolin-3-ol. With a topological polar surface area (TPSA) of 41.5 Ų, 7-Chlorocinnolin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chlorocinnolin-3-ol has 1 hydrogen bond donor(s) and 2 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 7-Chlorocinnolin-3-ol?
The CAS number of 7-Chlorocinnolin-3-ol is 101494-93-3.
What is the molecular formula of 7-Chlorocinnolin-3-ol?
The molecular formula of 7-Chlorocinnolin-3-ol is C8H5ClN2O.
What is the molecular weight of 7-Chlorocinnolin-3-ol?
The molecular weight of 7-Chlorocinnolin-3-ol is 180.01 g/mol.
Where can I buy 7-Chlorocinnolin-3-ol?
You can request a quote for 7-Chlorocinnolin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chlorocinnolin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 7-Chlorocinnolin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.