![2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine structure](/static/products/852/852294-65-6.png)
2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
TL;DR: 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine (CAS 852294-65-6) 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.
2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 5-methyl-3-[4-(2-phenylethenesulfonyl)piperazin-1-yl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C23H26N4O2S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 4.00122 |
| 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 | 1227.445 |
Chemical Identifiers
| CAS Number | 852294-65-6 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5 |
Product Overview
2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine (CAS 852294-65-6), with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol. IUPAC: 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Property Insights of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
The XLogP value of 4.00122 indicates that 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine 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 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine 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 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The CAS number of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is 852294-65-6.
What is the molecular formula of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The molecular formula of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is C23H26N4O2S2.
What is the molecular weight of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The molecular weight of 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is 454.15 g/mol.
Where can I buy 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
You can request a quote for 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.