7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
TL;DR: 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 126118-58-9) is a chemical compound with molecular formula C10H14N4O2S and molecular weight 254.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, BAS 00162664, IDI1_020049, F0373-0097, AB00667627-01
Technical Specifications
| Molecular Formula | C10H14N4O2S |
| Molecular Weight | 254.08374 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08374 Da |
| Heavy Atoms | 17 |
| Complexity | 432.0 |
| SMILES | CCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C |
| InChIKey | CYBXNOJEDSXTOI-UHFFFAOYSA-N |
Chemical Property Profile of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Property Insights of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-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-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The CAS number of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is 126118-58-9.
What is the molecular formula of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular formula of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is C10H14N4O2S.
What is the molecular weight of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular weight of 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is 254.08374 g/mol.
Where can I buy 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
You can request a quote for 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.