4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile
TL;DR: 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile (CAS 680210-85-9) 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.
4-chloro-2-oxo-1H-quinoline-3-carbonitrile
Also Known As: 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile, 4-chloro-2-oxo-1H-quinoline-3-carbonitrile, 4-Chloro-3-cyano-1,2-dihydro-2-oxoquinoline, 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile, 4-chloro-2-hydroxyquinoline-3-carbonitrile
| Molecular Formula | C10H5ClN2O |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.05318 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.00903 |
| Heavy Atoms | 14 |
| Complexity | 595.074 |
Chemical Identifiers
| CAS Number | 680210-85-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)N2)C#N)Cl |
Product Overview
4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile (CAS 680210-85-9), with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol. IUPAC: 4-chloro-2-oxo-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile
Property Insights of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile
The XLogP value of 2.05318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile 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 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile?
The CAS number of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile is 680210-85-9.
What is the molecular formula of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile?
The molecular formula of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile is C10H5ClN2O.
What is the molecular weight of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile?
The molecular weight of 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile is 204.01 g/mol.
Where can I buy 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile?
You can request a quote for 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,2-dihydro-2-oxoquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.