![3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene structure](/static/products/852/852407-01-3.png)
3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene
TL;DR: 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene (CAS 852407-01-3) is a chemical compound with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
Also Known As: 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene
| Molecular Formula | C23H26N4O2S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 4.0829 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.14972 |
| Heavy Atoms | 31 |
| Complexity | 1197.0444 |
Chemical Identifiers
| CAS Number | 852407-01-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5 |
Product Overview
3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene (CAS 852407-01-3), with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol. IUPAC: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
Chemical Property Profile of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene
Property Insights of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene
The XLogP value of 4.0829 indicates that 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene. Following Lipinski's Rule of Five, 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene has 0 hydrogen bond donor(s) and 6 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 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene?
The CAS number of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene is 852407-01-3.
What is the molecular formula of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene?
The molecular formula of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene is C23H26N4O2S2.
What is the molecular weight of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene?
The molecular weight of 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene is 454.15 g/mol.
Where can I buy 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene?
You can request a quote for 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.