1-(4-Chlorophenyl)sulfonylbenzotriazole
TL;DR: 1-(4-Chlorophenyl)sulfonylbenzotriazole (CAS 4106-20-1) is a chemical compound with molecular formula C12H8ClN3O2S and molecular weight 293.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonylbenzotriazole
Also Known As: 1-(4-chlorophenyl)sulfonylbenzotriazole, ChemDiv1_027174, 1-((4-chlorophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole, 1-(4-chloro-benzenesulfonyl)-1H-benzotriazole, 4-(benzotriazolylsulfonyl)-1-chlorobenzene
| Molecular Formula | C12H8ClN3O2S |
|---|---|
| Molecular Weight | 293.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.00256 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4106-20-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | OMRPHKONTJDIAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)sulfonylbenzotriazole (CAS 4106-20-1), with molecular formula C12H8ClN3O2S and molecular weight 293.00 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(4-Chlorophenyl)sulfonylbenzotriazole
Property Insights of 1-(4-Chlorophenyl)sulfonylbenzotriazole
The XLogP value of 3.0 indicates that 1-(4-Chlorophenyl)sulfonylbenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)sulfonylbenzotriazole 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-(4-Chlorophenyl)sulfonylbenzotriazole?
The CAS number of 1-(4-Chlorophenyl)sulfonylbenzotriazole is 4106-20-1.
What is the molecular formula of 1-(4-Chlorophenyl)sulfonylbenzotriazole?
The molecular formula of 1-(4-Chlorophenyl)sulfonylbenzotriazole is C12H8ClN3O2S.
What is the molecular weight of 1-(4-Chlorophenyl)sulfonylbenzotriazole?
The molecular weight of 1-(4-Chlorophenyl)sulfonylbenzotriazole is 293.00 g/mol.
Where can I buy 1-(4-Chlorophenyl)sulfonylbenzotriazole?
You can request a quote for 1-(4-Chlorophenyl)sulfonylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.