3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione
TL;DR: 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione (CAS 5770-30-9) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: Theophylline, 8-isobutyl-, 8-Isobutyl theophylline, Theophylline,8-isobutyl, 8-ISOBUTYLTHEOPHYLLINE, methylisobutylmethylxanthine
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 5770-30-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | NOEMEJJCNDUHJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione (CAS 5770-30-9), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione
Property Insights of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-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 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione?
The CAS number of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione is 5770-30-9.
What is the molecular formula of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione?
The molecular formula of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione is C11H16N4O2.
What is the molecular weight of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione?
The molecular weight of 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione is 236.13 g/mol.
Where can I buy 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione?
You can request a quote for 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-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 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.