![8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione structure](/static/products/3465/346579-33-7.webp)
8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione (CAS 346579-33-7) is a chemical compound with molecular formula C16H17N5O5S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione, 8-((4-methoxy-3-nitrobenzyl)thio)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione, 8-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H17N5O5S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 1.1798 |
| Topological Polar Surface Area | 114.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.09503 |
| Heavy Atoms | 27 |
| Complexity | 1176.6284 |
Chemical Identifiers
| CAS Number | 346579-33-7 |
|---|---|
| SMILES | CN1C2=C(N=C1SCC3=CC(=C(C=C3)OC)[N+](=O)[O-])N(C(=O)N(C2=O)C)C |
Product Overview
8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione (CAS 346579-33-7), with molecular formula C16H17N5O5S and molecular weight 391.10 g/mol. IUPAC: 8-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 1.1798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione. The TPSA of 114.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-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 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione is 346579-33-7.
What is the molecular formula of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione is C16H17N5O5S.
What is the molecular weight of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione is 391.10 g/mol.
Where can I buy 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-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-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.