1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- (CAS 132560-03-3) is a chemical compound with molecular formula C13H18N4O2 and molecular weight 262.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(cyclohexylmethyl)-1-methyl-7H-purine-2,6-dione
Also Known As: Xanthine, 3-(cyclohexylmethyl)-1-methyl-, 1-Methyl-3-(cyclohexylmethyl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-, 3,7-Dihydro-3-(cyclohexylmethyl)-1-methyl-1H-purine-2,6-dione, 3-(cyclohexylmethyl)-1-methyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C13H18N4O2 |
| Molecular Weight | 262.14297 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.14297 Da |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
| SMILES | CN1C(=O)C2=C(N=CN2)N(C1=O)CC3CCCCC3 |
| InChIKey | NPFNTAWQXGFSCE-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- is 132560-03-3.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- is C13H18N4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- is 262.14297 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.