8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 368432-63-7) is a chemical compound with molecular formula C25H31N7O3 and molecular weight 477.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione
Also Known As: 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione, 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione, 8-{4-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl}-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C25H31N7O3 |
|---|---|
| Molecular Weight | 477.25 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.24884 |
| Heavy Atoms | 35 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 368432-63-7 |
|---|---|
| SMILES | CCCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=C(N(C5=CC=CC=C54)C)C)N(C(=O)NC2=O)C |
| InChIKey | AADHGWGGROCAHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 368432-63-7), with molecular formula C25H31N7O3 and molecular weight 477.25 g/mol. IUPAC: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione.
Chemical Property Profile of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 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-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione is 368432-63-7.
What is the molecular formula of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione is C25H31N7O3.
What is the molecular weight of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione is 477.25 g/mol.
Where can I buy 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.