1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole (CAS 112062-94-9) is a chemical compound with molecular formula C13H10BrN3O2S and molecular weight 350.9677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromo-2-methylphenyl)sulfonylbenzotriazole
Also Known As: BIM-0048496.P001, 1-(5-bromo-2-methylphenyl)sulfonylbenzotriazole, 2-(benzotriazolylsulfonyl)-4-bromo-1-methylbenzene, 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole
Technical Specifications
| Molecular Formula | C13H10BrN3O2S |
| Molecular Weight | 350.9677 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.9677 Da |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
| SMILES | CC1=C(C=C(C=C1)Br)S(=O)(=O)N2C3=CC=CC=C3N=N2 |
| InChIKey | BJUVRXALVJDYHI-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole
The XLogP value of 3.4 indicates that 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole 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-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole 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
What is the CAS number of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole is 112062-94-9.
What is the molecular formula of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole is C13H10BrN3O2S.
What is the molecular weight of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole is 350.9677 g/mol.
Where can I buy 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(5-bromo-2-methylbenzenesulfonyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.