Bionet1_000826
TL;DR: Bionet1_000826 (CAS 338421-53-7) is a chemical compound with molecular formula C13H15ClN4O4S2 and molecular weight 390.02234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: Bionet1_000826, methyl 2-{[5-({[(4-chlorophenyl)sulfonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, 4H-406S, methyl 2-({5-[(4-chlorobenzenesulfonamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-[[5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Technical Specifications
| Molecular Formula | C13H15ClN4O4S2 |
| Molecular Weight | 390.02234 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.02234 Da |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | AYOJGYGEFWWKAU-UHFFFAOYSA-N |
Chemical Property Profile of Bionet1_000826
Property Insights of Bionet1_000826
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000826. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000826. Following Lipinski's Rule of Five, Bionet1_000826 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bionet1_000826?
The CAS number of Bionet1_000826 is 338421-53-7.
What is the molecular formula of Bionet1_000826?
The molecular formula of Bionet1_000826 is C13H15ClN4O4S2.
What is the molecular weight of Bionet1_000826?
The molecular weight of Bionet1_000826 is 390.02234 g/mol.
Where can I buy Bionet1_000826?
You can request a quote for Bionet1_000826 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bionet1_000826?
Yes, CoreyChem provides custom synthesis services for Bionet1_000826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.