4-Cyano-3-methoxyquinoline
TL;DR: 4-Cyano-3-methoxyquinoline (CAS 20844-02-4) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxyquinoline-4-carbonitrile
Also Known As: 4-Cyano-3-methoxyquinoline, 3-methoxyquinoline-4-carbonitrile, 4-Quinolinecarbonitrile, 3-methoxy-, 3-Methoxy-4-quinolinecarbonitrile, 3-Methoxy-4-quinolinecarbonitrile #
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 20844-02-4 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2N=C1)C#N |
| InChIKey | KGVIQTYQXDTYLM-UHFFFAOYSA-N |
Product Overview
4-Cyano-3-methoxyquinoline (CAS 20844-02-4), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 3-methoxyquinoline-4-carbonitrile.
Chemical Property Profile of 4-Cyano-3-methoxyquinoline
Property Insights of 4-Cyano-3-methoxyquinoline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-3-methoxyquinoline. With a topological polar surface area (TPSA) of 45.9 Ų, 4-Cyano-3-methoxyquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-3-methoxyquinoline has 0 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 4-Cyano-3-methoxyquinoline?
The CAS number of 4-Cyano-3-methoxyquinoline is 20844-02-4.
What is the molecular formula of 4-Cyano-3-methoxyquinoline?
The molecular formula of 4-Cyano-3-methoxyquinoline is C11H8N2O.
What is the molecular weight of 4-Cyano-3-methoxyquinoline?
The molecular weight of 4-Cyano-3-methoxyquinoline is 184.06 g/mol.
Where can I buy 4-Cyano-3-methoxyquinoline?
You can request a quote for 4-Cyano-3-methoxyquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-3-methoxyquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-3-methoxyquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.