1-Cyanobenzotriazole
TL;DR: 1-Cyanobenzotriazole (CAS 15328-32-2) is a chemical compound with molecular formula C7H4N4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazole-1-carbonitrile
Also Known As: 1-CYANOBENZOTRIAZOLE, 1H-BENZO[D][1,2,3]TRIAZOLE-1-CARBONITRILE, benzotriazole-1-carbonitrile, 1H-Benzotriazole-1-carbonitrile, 1-Cyanobenzotriazole [MI]
| Molecular Formula | C7H4N4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.76048 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0436 |
| Heavy Atoms | 11 |
| Complexity | 423.17834 |
Chemical Identifiers
| CAS Number | 15328-32-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C#N |
Product Overview
1-Cyanobenzotriazole (CAS 15328-32-2), with molecular formula C7H4N4 and molecular weight 144.04 g/mol. IUPAC: benzotriazole-1-carbonitrile.
Chemical Property Profile of 1-Cyanobenzotriazole
Property Insights of 1-Cyanobenzotriazole
The XLogP value of 0.76048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanobenzotriazole. With a topological polar surface area (TPSA) of 54.5 Ų, 1-Cyanobenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanobenzotriazole 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 1-Cyanobenzotriazole?
The CAS number of 1-Cyanobenzotriazole is 15328-32-2.
What is the molecular formula of 1-Cyanobenzotriazole?
The molecular formula of 1-Cyanobenzotriazole is C7H4N4.
What is the molecular weight of 1-Cyanobenzotriazole?
The molecular weight of 1-Cyanobenzotriazole is 144.04 g/mol.
Where can I buy 1-Cyanobenzotriazole?
You can request a quote for 1-Cyanobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.