1-Chlorobenzotriazole
TL;DR: 1-Chlorobenzotriazole (CAS 21050-95-3) 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.
1-chlorobenzotriazole
Also Known As: 1-Chlorobenzotriazole, 1H-Benzotriazole, 1-chloro-, N-chlorobenzotriazole, 1-Chloro-benzotriazole, 1-Chloro-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C6H4ClN3 |
|---|---|
| Molecular Weight | 153.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.00937 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 21050-95-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2Cl |
| InChIKey | INOGLHRUEYDAHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chlorobenzotriazole (CAS 21050-95-3), with molecular formula C6H4ClN3 and molecular weight 153.01 g/mol. IUPAC: 1-chlorobenzotriazole.
Chemical Property Profile of 1-Chlorobenzotriazole
Property Insights of 1-Chlorobenzotriazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chlorobenzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Chlorobenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorobenzotriazole has 0 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 1-Chlorobenzotriazole?
The CAS number of 1-Chlorobenzotriazole is 21050-95-3.
What is the molecular formula of 1-Chlorobenzotriazole?
The molecular formula of 1-Chlorobenzotriazole is C6H4ClN3.
What is the molecular weight of 1-Chlorobenzotriazole?
The molecular weight of 1-Chlorobenzotriazole is 153.01 g/mol.
Where can I buy 1-Chlorobenzotriazole?
You can request a quote for 1-Chlorobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.