1,7-Dimethyl-3-isobutylxanthine
TL;DR: 1,7-Dimethyl-3-isobutylxanthine (CAS 7464-84-8) 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.
1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: 1,7-Dimethyl-3-isobutylxanthine, 1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione, 3-(2-Methylpropyl)-1,7-dimethylxanthine, 464D848, 3-Isobutyl-1,7-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 7464-84-8 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C |
| InChIKey | GJZLMIMXCYMPSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Dimethyl-3-isobutylxanthine (CAS 7464-84-8), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 1,7-Dimethyl-3-isobutylxanthine
Property Insights of 1,7-Dimethyl-3-isobutylxanthine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dimethyl-3-isobutylxanthine. With a topological polar surface area (TPSA) of 58.4 Ų, 1,7-Dimethyl-3-isobutylxanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Dimethyl-3-isobutylxanthine has 0 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 1,7-Dimethyl-3-isobutylxanthine?
The CAS number of 1,7-Dimethyl-3-isobutylxanthine is 7464-84-8.
What is the molecular formula of 1,7-Dimethyl-3-isobutylxanthine?
The molecular formula of 1,7-Dimethyl-3-isobutylxanthine is C11H16N4O2.
What is the molecular weight of 1,7-Dimethyl-3-isobutylxanthine?
The molecular weight of 1,7-Dimethyl-3-isobutylxanthine is 236.13 g/mol.
Where can I buy 1,7-Dimethyl-3-isobutylxanthine?
You can request a quote for 1,7-Dimethyl-3-isobutylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dimethyl-3-isobutylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dimethyl-3-isobutylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.