![11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/851/851467-20-4.png)
11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
TL;DR: 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 851467-20-4) is a chemical compound with molecular formula C24H28N4O3S2 and molecular weight 484.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 7-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H28N4O3S2 |
|---|---|
| Molecular Weight | 484.16 g/mol |
| LogP | 3.2277 |
| Topological Polar Surface Area | 86.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.16028 |
| Heavy Atoms | 33 |
| Complexity | 1337.2816 |
Chemical Identifiers
| CAS Number | 851467-20-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5 |
Product Overview
11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 851467-20-4), with molecular formula C24H28N4O3S2 and molecular weight 484.16 g/mol. IUPAC: 7-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Property Insights of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 3.2277 indicates that 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one. Following Lipinski's Rule of Five, 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one has 1 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 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 851467-20-4.
What is the molecular formula of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is C24H28N4O3S2.
What is the molecular weight of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 484.16 g/mol.
Where can I buy 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 11-methyl-5-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.