7-Chloro-4-hydroxyquinoline-3-carbonitrile
TL;DR: 7-Chloro-4-hydroxyquinoline-3-carbonitrile (CAS 2458-23-3) is a chemical compound with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-oxo-1H-quinoline-3-carbonitrile
Also Known As: 7-CHLORO-4-HYDROXYQUINOLINE-3-CARBONITRILE, 7-chloro-4-oxo-1H-quinoline-3-carbonitrile, 4-Hydroxy-3-cyano-7-chloro-quinoline, 7-Chloro-4-hydroxy-3-quinolinecarbonitrile, 7-Chlor-4-hydroxyamino-chinolin-1-oxid
| Molecular Formula | C10H5ClN2O |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.00903 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 2458-23-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC=C(C2=O)C#N |
| InChIKey | AWSDUPVFXCHALA-UHFFFAOYSA-N |
Product Overview
7-Chloro-4-hydroxyquinoline-3-carbonitrile (CAS 2458-23-3), with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol. IUPAC: 7-chloro-4-oxo-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 7-Chloro-4-hydroxyquinoline-3-carbonitrile
Property Insights of 7-Chloro-4-hydroxyquinoline-3-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-4-hydroxyquinoline-3-carbonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 7-Chloro-4-hydroxyquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-4-hydroxyquinoline-3-carbonitrile 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 7-Chloro-4-hydroxyquinoline-3-carbonitrile?
The CAS number of 7-Chloro-4-hydroxyquinoline-3-carbonitrile is 2458-23-3.
What is the molecular formula of 7-Chloro-4-hydroxyquinoline-3-carbonitrile?
The molecular formula of 7-Chloro-4-hydroxyquinoline-3-carbonitrile is C10H5ClN2O.
What is the molecular weight of 7-Chloro-4-hydroxyquinoline-3-carbonitrile?
The molecular weight of 7-Chloro-4-hydroxyquinoline-3-carbonitrile is 204.01 g/mol.
Where can I buy 7-Chloro-4-hydroxyquinoline-3-carbonitrile?
You can request a quote for 7-Chloro-4-hydroxyquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-4-hydroxyquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-4-hydroxyquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.