![7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione structure](/static/products/5013/501352-35-8.webp)
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 501352-35-8) is a chemical compound with molecular formula C21H24N6O2S2 and molecular weight 456.14 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]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H24N6O2S2 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.14023 |
| Heavy Atoms | 31 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 501352-35-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCSC4=NC5=CC=CC=C5S4 |
| InChIKey | DPYCWARASYONDZ-UHFFFAOYSA-N |
Product Overview
7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 501352-35-8), with molecular formula C21H24N6O2S2 and molecular weight 456.14 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.8 indicates that 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 7 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)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 501352-35-8.
What is the molecular formula of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C21H24N6O2S2.
What is the molecular weight of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 456.14 g/mol.
Where can I buy 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-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)-1,3-dimethyl-8-(piperidin-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)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.