Bionet1_001072
TL;DR: Bionet1_001072 (CAS 338794-53-9) is a chemical compound with molecular formula C12H15BrN4O2S2 and molecular weight 389.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
Also Known As: Bionet1_001072, 4-bromo-N-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzenesulfonamide, 4-bromo-N-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide, 4-bromo-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, 4-Bromo-N-{4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-ylmethyl}benzenesulfonamide
| Molecular Formula | C12H15BrN4O2S2 |
|---|---|
| Molecular Weight | 389.98 g/mol |
| LogP | 2.2609 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.982 |
| Heavy Atoms | 21 |
| Complexity | 713.3587 |
Chemical Identifiers
| CAS Number | 338794-53-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SC)CNS(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
Bionet1_001072 (CAS 338794-53-9), with molecular formula C12H15BrN4O2S2 and molecular weight 389.98 g/mol. IUPAC: 4-bromo-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
Chemical Property Profile of Bionet1_001072
Property Insights of Bionet1_001072
The XLogP value of 2.2609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_001072. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001072. Following Lipinski's Rule of Five, Bionet1_001072 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_001072?
The CAS number of Bionet1_001072 is 338794-53-9.
What is the molecular formula of Bionet1_001072?
The molecular formula of Bionet1_001072 is C12H15BrN4O2S2.
What is the molecular weight of Bionet1_001072?
The molecular weight of Bionet1_001072 is 389.98 g/mol.
Where can I buy Bionet1_001072?
You can request a quote for Bionet1_001072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001072?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.