![3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile structure](/static/products/327/327100-61-8.png)
3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile
TL;DR: 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile (CAS 327100-61-8) is a chemical compound with molecular formula C13H16BrN5O2 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile
Also Known As: 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile, 3-(8-bromo-7-isobutyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanenitrile, 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propanenitrile
| Molecular Formula | C13H16BrN5O2 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.04874 |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 327100-61-8 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC#N)C |
| InChIKey | GHZUPRCYXLKCHY-UHFFFAOYSA-N |
Product Overview
3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile (CAS 327100-61-8), with molecular formula C13H16BrN5O2 and molecular weight 353.05 g/mol. IUPAC: 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile.
Chemical Property Profile of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile
Property Insights of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile has 0 hydrogen bond donor(s) and 4 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-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile?
The CAS number of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile is 327100-61-8.
What is the molecular formula of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile?
The molecular formula of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile is C13H16BrN5O2.
What is the molecular weight of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile?
The molecular weight of 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile is 353.05 g/mol.
Where can I buy 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile?
You can request a quote for 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.