8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
TL;DR: 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione (CAS 970-84-3) is a chemical compound with molecular formula C15H13N5O2 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 1,3-Dimethyl-8-(1H-indole-3-yl)xanthine, 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione, J3.070.508D, 8-(1H-Indol-3-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(1H-Indole-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H13N5O2 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.10693 |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 970-84-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CNC4=CC=CC=C43 |
| InChIKey | IVIWTPKRTUUIRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione (CAS 970-84-3), with molecular formula C15H13N5O2 and molecular weight 295.11 g/mol. IUPAC: 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
Property Insights of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione has 2 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-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione?
The CAS number of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione is 970-84-3.
What is the molecular formula of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione?
The molecular formula of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione is C15H13N5O2.
What is the molecular weight of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione?
The molecular weight of 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione is 295.11 g/mol.
Where can I buy 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione?
You can request a quote for 8-(1H-indol-3-yl)-1,3-dimethyl-7H-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-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.