![7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione structure](/static/products/6734/673445-85-7.webp)
7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 673445-85-7) is a chemical compound with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00432880-04, AB00432880-10, F0570-0016, 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
| Molecular Formula | C20H22N6O3S |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 2.3471 |
| Topological Polar Surface Area | 101.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1474 |
| Heavy Atoms | 30 |
| Complexity | 1295.0557 |
Chemical Identifiers
| CAS Number | 673445-85-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC5=CC=CC=C5O4 |
Product Overview
7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 673445-85-7), with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol. IUPAC: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.3471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 101.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione has 1 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]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 673445-85-7.
What is the molecular formula of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C20H22N6O3S.
What is the molecular weight of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 426.15 g/mol.
Where can I buy 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-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]oxazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-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.