1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole (CAS 873680-91-2) is a chemical compound with molecular formula C13H10BrN3O3S and molecular weight 366.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3-methoxyphenyl)sulfonylbenzotriazole
Also Known As: 1-(4-bromo-3-methoxyphenyl)sulfonylbenzotriazole, 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole, 4-(benzotriazolylsulfonyl)-1-bromo-2-methoxybenzene, F1696-0230, 1-((4-bromo-3-methoxyphenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C13H10BrN3O3S |
|---|---|
| Molecular Weight | 366.96 g/mol |
| LogP | 2.4394 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.96262 |
| Heavy Atoms | 21 |
| Complexity | 921.3111 |
Chemical Identifiers
| CAS Number | 873680-91-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)Br |
Product Overview
1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole (CAS 873680-91-2), with molecular formula C13H10BrN3O3S and molecular weight 366.96 g/mol. IUPAC: 1-(4-bromo-3-methoxyphenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole
The XLogP value of 2.4394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 5 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-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole is 873680-91-2.
What is the molecular formula of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole is C13H10BrN3O3S.
What is the molecular weight of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole is 366.96 g/mol.
Where can I buy 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromo-3-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.