7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 126118-61-4) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-7-(3-methylbutyl)-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00672830-01, 3-methyl-7-(3-methylbutyl)-8-sulfanylidene-9H-purine-2,6-dione, F0886-0021, 7-isopentyl-8-mercapto-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C11H16N4O2S |
| Molecular Weight | 268.0994 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0994 Da |
| Heavy Atoms | 18 |
| Complexity | 458.0 |
| SMILES | CC(C)CCN1C2=C(NC1=S)N(C(=O)NC2=O)C |
| InChIKey | AVEOPOLAQTXBAI-UHFFFAOYSA-N |
Chemical Property Profile of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 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 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is 126118-61-4.
What is the molecular formula of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is C11H16N4O2S.
What is the molecular weight of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is 268.0994 g/mol.
Where can I buy 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 7-isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.