1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione (CAS 71805-07-7) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione
Also Known As: NCIOpen2_004008, KST-1B8015, 1,3-dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione, 1,3-dimethyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione, 2-Methyl-4,5-dioxo-cyclopentan-1,3-dicarbonsaeure-dimethylester
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 71805-07-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CS3 |
| InChIKey | NUMLXNCZORXRJO-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione (CAS 71805-07-7), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: 1,3-dimethyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-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
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione is 71805-07-7.
What is the molecular formula of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione is C12H12N4O2S.
What is the molecular weight of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione is 276.07 g/mol.
Where can I buy 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-(thiophen-2-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.