1-Naphthylbenzotriazole-5,6-dicarbonitrile
TL;DR: 1-Naphthylbenzotriazole-5,6-dicarbonitrile (CAS 356084-40-7) is a chemical compound with molecular formula C18H9N5 and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-naphthalen-1-ylbenzotriazole-5,6-dicarbonitrile
Also Known As: 1-naphthylbenzotriazole-5,6-dicarbonitrile, 1-naphthalen-1-ylbenzotriazole-5,6-dicarbonitrile, 1-(naphthalen-1-yl)-1H-benzotriazole-5,6-dicarbonitrile, A2735/0116148, 1-(1-NAPHTHYL)-1H-1,2,3-BENZOTRIAZOLE-5,6-DICARBONITRILE
| Molecular Formula | C18H9N5 |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0858 |
| Heavy Atoms | 23 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 356084-40-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N3C4=C(C=C(C(=C4)C#N)C#N)N=N3 |
| InChIKey | HGKUCLTXCOOYHV-UHFFFAOYSA-N |
Product Overview
1-Naphthylbenzotriazole-5,6-dicarbonitrile (CAS 356084-40-7), with molecular formula C18H9N5 and molecular weight 295.09 g/mol. IUPAC: 1-naphthalen-1-ylbenzotriazole-5,6-dicarbonitrile.
Chemical Property Profile of 1-Naphthylbenzotriazole-5,6-dicarbonitrile
Property Insights of 1-Naphthylbenzotriazole-5,6-dicarbonitrile
The XLogP value of 3.5 indicates that 1-Naphthylbenzotriazole-5,6-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthylbenzotriazole-5,6-dicarbonitrile. Following Lipinski's Rule of Five, 1-Naphthylbenzotriazole-5,6-dicarbonitrile has 0 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 1-Naphthylbenzotriazole-5,6-dicarbonitrile?
The CAS number of 1-Naphthylbenzotriazole-5,6-dicarbonitrile is 356084-40-7.
What is the molecular formula of 1-Naphthylbenzotriazole-5,6-dicarbonitrile?
The molecular formula of 1-Naphthylbenzotriazole-5,6-dicarbonitrile is C18H9N5.
What is the molecular weight of 1-Naphthylbenzotriazole-5,6-dicarbonitrile?
The molecular weight of 1-Naphthylbenzotriazole-5,6-dicarbonitrile is 295.09 g/mol.
Where can I buy 1-Naphthylbenzotriazole-5,6-dicarbonitrile?
You can request a quote for 1-Naphthylbenzotriazole-5,6-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthylbenzotriazole-5,6-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthylbenzotriazole-5,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.