7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole
TL;DR: 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole (CAS 70733-29-8) is a chemical compound with molecular formula C7H4BrN3O2S and molecular weight 272.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-methyl-4-nitro-2,1,3-benzothiadiazole
Also Known As: 7-bromo-5-methyl-4-nitro-2,1,3-benzothiadiazole, 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-, 2,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-
| Molecular Formula | C7H4BrN3O2S |
|---|---|
| Molecular Weight | 272.92 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.92075 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 70733-29-8 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C(=C1)Br)[N+](=O)[O-] |
| InChIKey | HUMWHYXXWVTAQW-UHFFFAOYSA-N |
Product Overview
7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole (CAS 70733-29-8), with molecular formula C7H4BrN3O2S and molecular weight 272.92 g/mol. IUPAC: 7-bromo-5-methyl-4-nitro-2,1,3-benzothiadiazole.
Chemical Property Profile of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole
Property Insights of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole 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 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole?
The CAS number of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole is 70733-29-8.
What is the molecular formula of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole?
The molecular formula of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole is C7H4BrN3O2S.
What is the molecular weight of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole?
The molecular weight of 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole is 272.92 g/mol.
Where can I buy 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole?
You can request a quote for 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.