4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile
TL;DR: 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile (CAS 577988-72-8) is a chemical compound with molecular formula C23H12N6O and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile
Also Known As: 4-(1H-1,2,3-benzotriazol-1-yl)-5-(8-quinolinyloxy)phthalonitrile, 4-(benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile, 4-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(quinolin-8-yloxy)phthalonitrile, 4-(1H-benzotriazol-1-yl)-5-(quinolin-8-yloxy)benzene-1,2-dicarbonitrile, 4-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-CYANO-5-(8-QUINOLYLOXY)PHENYL CYANIDE
| Molecular Formula | C23H12N6O |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.10727 |
| Heavy Atoms | 30 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 577988-72-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)OC4=CC=CC5=C4N=CC=C5 |
| InChIKey | CIVUIMKTBGAJBH-UHFFFAOYSA-N |
Product Overview
4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile (CAS 577988-72-8), with molecular formula C23H12N6O and molecular weight 388.11 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile
Property Insights of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile
The XLogP value of 4.0 indicates that 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 6 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-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile?
The CAS number of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile is 577988-72-8.
What is the molecular formula of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile?
The molecular formula of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile is C23H12N6O.
What is the molecular weight of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile?
The molecular weight of 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile is 388.11 g/mol.
Where can I buy 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile?
You can request a quote for 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzotriazol-1-yl)-5-quinolin-8-yloxybenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.