![7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/5013/501352-34-7.webp)
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 501352-34-7) is a chemical compound with molecular formula C21H25N7O3S2 and molecular weight 487.15 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]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-(2-benzothiazol-2-ylthioethyl)-8-[4-(2-hydroxyethyl)piperazinyl]-3-methyl-1, 3,7-trihydropurine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H25N7O3S2 |
|---|---|
| Molecular Weight | 487.15 g/mol |
| LogP | 0.9396 |
| Topological Polar Surface Area | 112.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.14603 |
| Heavy Atoms | 33 |
| Complexity | 1365.627 |
Chemical Identifiers
| CAS Number | 501352-34-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CCSC4=NC5=CC=CC=C5S4 |
Product Overview
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 501352-34-7), with molecular formula C21H25N7O3S2 and molecular weight 487.15 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 112.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 9 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)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 501352-34-7.
What is the molecular formula of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C21H25N7O3S2.
What is the molecular weight of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 487.15 g/mol.
Where can I buy 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-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)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.