8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
TL;DR: 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 5770-28-5) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Ethyltheophylline, Theophylline, 8-ethyl-, 8-Ethyltheophyline, 1,3-dimethyl-8-ethylxanthine, Xanthine, 1,3-dimethyl-8-ethyl-
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 5770-28-5 |
|---|---|
| SMILES | CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | KTJSVELYMZTQJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 5770-28-5), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 8-ethyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Property Insights of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The CAS number of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 5770-28-5.
What is the molecular formula of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular formula of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione is C9H12N4O2.
What is the molecular weight of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular weight of 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 208.10 g/mol.
Where can I buy 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
You can request a quote for 8-Ethyl-3,9-dihydro-1,3-dimethyl-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-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Ethyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.