![7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione structure](/static/products/5013/501352-32-5.webp)
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 501352-32-5) is a chemical compound with molecular formula C20H23N7O2S2 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-(2-benzothiazol-2-ylthioethyl)-3-methyl-8-(4-methylpiperazinyl)-1,3,7-trihyd ropurine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H23N7O2S2 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 1.5771 |
| Topological Polar Surface Area | 92.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.13547 |
| Heavy Atoms | 31 |
| Complexity | 1328.6146 |
Chemical Identifiers
| CAS Number | 501352-32-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)NC(=O)N3C |
Product Overview
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 501352-32-5), with molecular formula C20H23N7O2S2 and molecular weight 457.14 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.5771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione 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
Frequently Asked Questions
What is the CAS number of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 501352-32-5.
What is the molecular formula of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C20H23N7O2S2.
What is the molecular weight of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 457.14 g/mol.
Where can I buy 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.