4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
TL;DR: 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole (CAS 41512-12-3) is a chemical compound with molecular formula C11H13BrN4O2S2 and molecular weight 375.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
Also Known As: BAS 00347795, 4-Bromo-7-(4-methyl-piperazine-1-sulfonyl)-benzo[1,2,5]thiadiazole, 4-bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole, 4-bromo-7-[(4-methylpiperazinyl)sulfonyl]benzo[c]1,2,5-thiadiazole, 4-bromo-7-((4-methylpiperazin-1-yl)sulfonyl)benzo[c][1,2,5]thiadiazole
| Molecular Formula | C11H13BrN4O2S2 |
|---|---|
| Molecular Weight | 375.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.96634 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 41512-12-3 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=NSN=C23)Br |
| InChIKey | JKRBQDFLKDTBSO-UHFFFAOYSA-N |
Product Overview
4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole (CAS 41512-12-3), with molecular formula C11H13BrN4O2S2 and molecular weight 375.97 g/mol. IUPAC: 4-bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole.
Chemical Property Profile of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
Property Insights of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole has 0 hydrogen bond donor(s) and 7 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 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The CAS number of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole is 41512-12-3.
What is the molecular formula of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The molecular formula of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole is C11H13BrN4O2S2.
What is the molecular weight of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The molecular weight of 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole is 375.97 g/mol.
Where can I buy 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
You can request a quote for 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-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 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-7-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.