![8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/6723/672318-16-0.webp)
8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 672318-16-0) is a chemical compound with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methylpurine-2,6-dione
Also Known As: 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methylpurine-2,6-dione, 8-(1-AZEPANYL)-7-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ETHYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(AZEPAN-1-YL)-7-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ETHYL]-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H24N6O3S |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 2.7372 |
| Topological Polar Surface Area | 101.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.16306 |
| Heavy Atoms | 31 |
| Complexity | 1309.9012 |
Chemical Identifiers
| CAS Number | 672318-16-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCSC4=NC5=CC=CC=C5O4 |
Product Overview
8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 672318-16-0), with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol. IUPAC: 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 101.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-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 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 672318-16-0.
What is the molecular formula of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C21H24N6O3S.
What is the molecular weight of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 440.16 g/mol.
Where can I buy 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-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 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.