8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 685860-51-9) is a chemical compound with molecular formula C18H25N7O2S2 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione, 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-[2-(5-methyl-1,3,4-thiadiazol-2-ylthio)ethyl]-3,7-dihydro-2H-purine-2,6(1H)-dione, 8-(3,5-dimethylpiperidin-1-yl)-6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one, 8-(3,5-dimethylpiperidyl)-3-methyl-7-[2-(5-methyl(1,3,4-thiadiazol-2-ylthio))e thyl]-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C18H25N7O2S2 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.15112 |
| Heavy Atoms | 29 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 685860-51-9 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NN=C(S4)C)C(=O)NC(=O)N3C)C |
| InChIKey | QHVSFWPACQAEFF-UHFFFAOYSA-N |
Product Overview
8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 685860-51-9), with molecular formula C18H25N7O2S2 and molecular weight 435.15 g/mol. IUPAC: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 150.0 Ų indicates high polarity, suggesting 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 8 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-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is 685860-51-9.
What is the molecular formula of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is C18H25N7O2S2.
What is the molecular weight of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is 435.15 g/mol.
Where can I buy 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.