1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole
TL;DR: 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole (CAS 112062-96-1) 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-(5-bromo-2-methoxyphenyl)sulfonylbenzotriazole
Also Known As: 1-(5-bromo-2-methoxyphenyl)sulfonylbenzotriazole, AF-399/13383364, 2-(benzotriazolylsulfonyl)-4-bromo-1-methoxybenzene, 1-(5-bromo-2-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole, 1-[(5-bromo-2-methoxyphenyl)sulfonyl]-1H-benzotriazole
| 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 | 112062-96-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)S(=O)(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole (CAS 112062-96-1), with molecular formula C13H10BrN3O3S and molecular weight 366.96 g/mol. IUPAC: 1-(5-bromo-2-methoxyphenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole
Property Insights of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole
The XLogP value of 2.4394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole 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-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole?
The CAS number of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole is 112062-96-1.
What is the molecular formula of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole?
The molecular formula of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole is C13H10BrN3O3S.
What is the molecular weight of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole?
The molecular weight of 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole is 366.96 g/mol.
Where can I buy 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole?
You can request a quote for 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-methoxyphenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.