8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 56573-89-8) is a chemical compound with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: NCIOpen2_003766, 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione, 8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-Aethylmercapto-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
| Molecular Formula | C9H12N4O2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0681 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 56573-89-8 |
|---|---|
| SMILES | CCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | YZNKEEVKCAFYAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 56573-89-8), with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol. IUPAC: 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Ethylsulfanyl)-1,3-dimethyl-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 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 56573-89-8.
What is the molecular formula of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C9H12N4O2S.
What is the molecular weight of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 240.07 g/mol.
Where can I buy 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-(Ethylsulfanyl)-1,3-dimethyl-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 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.