J3.397.090K
TL;DR: J3.397.090K (CAS 851941-94-1) is a chemical compound with molecular formula C22H30N6O4 and molecular weight 442.23285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: J3.397.090K, 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, AB00431541-09, 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione, F0634-0667
Technical Specifications
| Molecular Formula | C22H30N6O4 |
| Molecular Weight | 442.23285 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.23285 Da |
| Heavy Atoms | 32 |
| Complexity | 725.0 |
| SMILES | CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 |
| InChIKey | AGUUKKXWABRVBZ-UHFFFAOYSA-N |
Chemical Property Profile of J3.397.090K
Property Insights of J3.397.090K
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.397.090K. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.397.090K. Following Lipinski's Rule of Five, J3.397.090K has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of J3.397.090K?
The CAS number of J3.397.090K is 851941-94-1.
What is the molecular formula of J3.397.090K?
The molecular formula of J3.397.090K is C22H30N6O4.
What is the molecular weight of J3.397.090K?
The molecular weight of J3.397.090K is 442.23285 g/mol.
Where can I buy J3.397.090K?
You can request a quote for J3.397.090K directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J3.397.090K?
Yes, CoreyChem provides custom synthesis services for J3.397.090K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.