8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione
TL;DR: 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 7465-37-4) is a chemical compound with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione
Also Known As: J3.245.107A, 8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione, 1,3,9-Trimethyl-8-(cyclohexylthio)-1H-purine-2,6(3H,9H)-dione, 8-(Cyclohexylsulfanyl)-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione, 8-(cyclohexylsulfanyl)-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H20N4O2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.1307 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 7465-37-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3CCCCC3 |
| InChIKey | QOJPGFMTJRZALP-UHFFFAOYSA-N |
Product Overview
8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 7465-37-4), with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol. IUPAC: 8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione
Property Insights of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Cyclohexylsulfanyl-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-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Cyclohexylsulfanyl-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-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
The CAS number of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione is 7465-37-4.
What is the molecular formula of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
The molecular formula of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione is C14H20N4O2S.
What is the molecular weight of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
The molecular weight of 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione is 308.13 g/mol.
Where can I buy 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
You can request a quote for 8-Cyclohexylsulfanyl-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-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.