5-Chlorobenzotriazole
TL;DR: 5-Chlorobenzotriazole (CAS 94-97-3) is a chemical compound with molecular formula C6H4ClN3 and molecular weight 153.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2H-benzotriazole
Also Known As: 5-Chlorobenzotriazole, 6-Chlorobenzotriazole, 5-chloro-2H-benzotriazole, 5-Chloro-1H-benzotriazole, 1H-Benzotriazole, 5-chloro-
| Molecular Formula | C6H4ClN3 |
|---|---|
| Molecular Weight | 153.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.00937 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 94-97-3 |
|---|---|
| SMILES | C1=CC2=NNN=C2C=C1Cl |
| InChIKey | PZBQVZFITSVHAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chlorobenzotriazole (CAS 94-97-3), with molecular formula C6H4ClN3 and molecular weight 153.01 g/mol. IUPAC: 5-chloro-2H-benzotriazole.
Chemical Property Profile of 5-Chlorobenzotriazole
Property Insights of 5-Chlorobenzotriazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorobenzotriazole. With a topological polar surface area (TPSA) of 41.6 Ų, 5-Chlorobenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chlorobenzotriazole has 1 hydrogen bond donor(s) and 2 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 5-Chlorobenzotriazole?
The CAS number of 5-Chlorobenzotriazole is 94-97-3.
What is the molecular formula of 5-Chlorobenzotriazole?
The molecular formula of 5-Chlorobenzotriazole is C6H4ClN3.
What is the molecular weight of 5-Chlorobenzotriazole?
The molecular weight of 5-Chlorobenzotriazole is 153.01 g/mol.
Where can I buy 5-Chlorobenzotriazole?
You can request a quote for 5-Chlorobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.