Bionet1_004387
TL;DR: Bionet1_004387 (CAS 478047-93-7) is a chemical compound with molecular formula C16H22N4O3S2 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-1,2,4-triazole-5-thione
Also Known As: Bionet1_004387, 4-ethyl-5-{1-[(4-methoxyphenyl)sulfonyl]-4-piperidinyl}-4H-1,2,4-triazole-3-thiol, 4-ethyl-5-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-4H-1,2,4-triazole-3-thiol, 4-ethyl-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-1,2,4-triazole-5-thione, 4-ethyl-3-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H22N4O3S2 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 2.53749 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11334 |
| Heavy Atoms | 25 |
| Complexity | 878.8488 |
Chemical Identifiers
| CAS Number | 478047-93-7 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC |
Product Overview
Bionet1_004387 (CAS 478047-93-7), with molecular formula C16H22N4O3S2 and molecular weight 382.11 g/mol. IUPAC: 4-ethyl-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of Bionet1_004387
Property Insights of Bionet1_004387
The XLogP value of 2.53749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004387. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004387. Following Lipinski's Rule of Five, Bionet1_004387 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_004387?
The CAS number of Bionet1_004387 is 478047-93-7.
What is the molecular formula of Bionet1_004387?
The molecular formula of Bionet1_004387 is C16H22N4O3S2.
What is the molecular weight of Bionet1_004387?
The molecular weight of Bionet1_004387 is 382.11 g/mol.
Where can I buy Bionet1_004387?
You can request a quote for Bionet1_004387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004387?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.