4,5,6-trichloro-2H-benzotriazole
TL;DR: 4,5,6-trichloro-2H-benzotriazole (CAS 4144-43-8) is a chemical compound with molecular formula C6H2Cl3N3 and molecular weight 220.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trichloro-2H-benzotriazole
Also Known As: 4,5,6-trichloro-2H-benzotriazole, 5,6,7-trichloro-1H-benzotriazole, 4,5,6-Trichloro-2H-1,2,3-benzotriazole, 1H-1,2,3-benzotriazole, 5,6,7-trichloro-, RefChem:285175
| Molecular Formula | C6H2Cl3N3 |
|---|---|
| Molecular Weight | 220.93 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.93143 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 4144-43-8 |
|---|---|
| SMILES | C1=C(C(=C(C2=NNN=C21)Cl)Cl)Cl |
| InChIKey | UPOHHKQFJSIPBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6-trichloro-2H-benzotriazole (CAS 4144-43-8), with molecular formula C6H2Cl3N3 and molecular weight 220.93 g/mol. IUPAC: 4,5,6-trichloro-2H-benzotriazole.
Chemical Property Profile of 4,5,6-trichloro-2H-benzotriazole
Property Insights of 4,5,6-trichloro-2H-benzotriazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6-trichloro-2H-benzotriazole. With a topological polar surface area (TPSA) of 41.6 Ų, 4,5,6-trichloro-2H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-trichloro-2H-benzotriazole 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 4,5,6-trichloro-2H-benzotriazole?
The CAS number of 4,5,6-trichloro-2H-benzotriazole is 4144-43-8.
What is the molecular formula of 4,5,6-trichloro-2H-benzotriazole?
The molecular formula of 4,5,6-trichloro-2H-benzotriazole is C6H2Cl3N3.
What is the molecular weight of 4,5,6-trichloro-2H-benzotriazole?
The molecular weight of 4,5,6-trichloro-2H-benzotriazole is 220.93 g/mol.
Where can I buy 4,5,6-trichloro-2H-benzotriazole?
You can request a quote for 4,5,6-trichloro-2H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-trichloro-2H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-trichloro-2H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.