1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 121542-92-5) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-8-thiophen-2-yl-7H-purine-2,6-dione
Also Known As: 8-(2-Thienyl)theophylline, 8-[2-Thienyl]theophylline, 8-(2-Thienyl)-theophyllin, 8-<2-Thienyl>-theophyllin, KST-1B3332
Technical Specifications
| Molecular Formula | C11H10N4O2S |
| Molecular Weight | 262.05246 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.05246 Da |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CS3 |
| InChIKey | XKANLKMBLCBGOJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione is 121542-92-5.
What is the molecular formula of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione is C11H10N4O2S.
What is the molecular weight of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione is 262.05246 g/mol.
Where can I buy 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1,3-Dimethyl-8-(2-thienyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.