8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 6520-21-4) is a chemical compound with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclohexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-cyclohexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione,8-(cyclohexylthio)-3,9-dihydro-1,3-dimethyl-
| Molecular Formula | C13H18N4O2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.11505 |
| Heavy Atoms | 20 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 6520-21-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3CCCCC3 |
| InChIKey | DELPZALKJGIUHI-UHFFFAOYSA-N |
Product Overview
8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 6520-21-4), with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol. IUPAC: 8-cyclohexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione has 1 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-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 6520-21-4.
What is the molecular formula of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C13H18N4O2S.
What is the molecular weight of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 294.12 g/mol.
Where can I buy 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-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-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.