Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-
TL;DR: Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- (CAS 97460-75-8) is a chemical compound with molecular formula C14H10N4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,3,4-tetrahydroquinolin-6-yl)ethene-1,1,2-tricarbonitrile
Also Known As: 6-Tricyanovinyl-1,2,3,4-tetrahydroquinoline, Quinoline, 1,2,3,4-tetrahydro-6-tricyanovinyl-, 4-22-00-01794 (Beilstein Handbook Reference), MALONONITRILE, (CYANO-(1,2,3,4-TETRAHYDRO-6-QUINOLYL)METHYLENE)-, (Cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)malononitrile
| Molecular Formula | C14H10N4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.09055 |
| Heavy Atoms | 18 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 97460-75-8 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)C(=C(C#N)C#N)C#N)NC1 |
| InChIKey | MMBBFDZCCKWEOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- (CAS 97460-75-8), with molecular formula C14H10N4 and molecular weight 234.09 g/mol. IUPAC: 2-(1,2,3,4-tetrahydroquinolin-6-yl)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-
Property Insights of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-. Following Lipinski's Rule of Five, Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- has 1 hydrogen bond donor(s) and 4 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 Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-?
The CAS number of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- is 97460-75-8.
What is the molecular formula of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-?
The molecular formula of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- is C14H10N4.
What is the molecular weight of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-?
The molecular weight of Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- is 234.09 g/mol.
Where can I buy Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-?
You can request a quote for Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (cyano-(1,2,3,4-tetrahydro-6-quinolyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.