8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione
TL;DR: 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 109285-66-7) is a chemical compound with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione
Also Known As: 8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione, 8-butylmercapto-1,3,9-trimethyl-3,9-dihydro-purine-2,6-dione, 8-(butylsulfanyl)-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H18N4O2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.11505 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 109285-66-7 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C |
| InChIKey | GMLUULJWTSUJBR-UHFFFAOYSA-N |
Product Overview
8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 109285-66-7), with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol. IUPAC: 8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione
Property Insights of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
The CAS number of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione is 109285-66-7.
What is the molecular formula of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
The molecular formula of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione is C12H18N4O2S.
What is the molecular weight of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
The molecular weight of 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione is 282.12 g/mol.
Where can I buy 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
You can request a quote for 8-Butylsulfanyl-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-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Butylsulfanyl-1,3,9-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.