![8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione structure](/static/products/897/897453-85-9.png)
8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
TL;DR: 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione (CAS 897453-85-9) is a chemical compound with molecular formula C16H25N5O2S and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
Also Known As: VU0495215-1, F2599-0109, 8-[2-(azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione, 8-((2-(azepan-1-yl)ethyl)thio)-1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione, 8-{[2-(azepan-1-yl)ethyl]sulfanyl}-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H25N5O2S |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 0.9388 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.17288 |
| Heavy Atoms | 24 |
| Complexity | 842.74054 |
Chemical Identifiers
| CAS Number | 897453-85-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCN3CCCCCC3 |
Product Overview
8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione (CAS 897453-85-9), with molecular formula C16H25N5O2S and molecular weight 351.17 g/mol. IUPAC: 8-[2-(azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
Property Insights of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione
The XLogP value of 0.9388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 5 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-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
The CAS number of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione is 897453-85-9.
What is the molecular formula of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
The molecular formula of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione is C16H25N5O2S.
What is the molecular weight of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
The molecular weight of 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione is 351.17 g/mol.
Where can I buy 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
You can request a quote for 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.