Bionet1_000828
TL;DR: Bionet1_000828 (CAS 338421-58-2) 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-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
Also Known As: Bionet1_000828, 4-bromo-N-{[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzenesulfonamide, 4-bromo-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, 4-bromo-N-{[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide
| Molecular Formula | C11H13BrN4O2S2 |
|---|---|
| Molecular Weight | 375.97 g/mol |
| LogP | 1.778 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.96634 |
| Heavy Atoms | 20 |
| Complexity | 697.71326 |
Chemical Identifiers
| CAS Number | 338421-58-2 |
|---|---|
| SMILES | CN1C(=NN=C1SC)CNS(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
Bionet1_000828 (CAS 338421-58-2), with molecular formula C11H13BrN4O2S2 and molecular weight 375.97 g/mol. IUPAC: 4-bromo-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
Chemical Property Profile of Bionet1_000828
Property Insights of Bionet1_000828
The XLogP value of 1.778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000828. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000828. Following Lipinski's Rule of Five, Bionet1_000828 has 1 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 Bionet1_000828?
The CAS number of Bionet1_000828 is 338421-58-2.
What is the molecular formula of Bionet1_000828?
The molecular formula of Bionet1_000828 is C11H13BrN4O2S2.
What is the molecular weight of Bionet1_000828?
The molecular weight of Bionet1_000828 is 375.97 g/mol.
Where can I buy Bionet1_000828?
You can request a quote for Bionet1_000828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000828?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.