![3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile structure](/static/products/121/121511-63-5.png)
3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
TL;DR: 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile (CAS 121511-63-5) is a chemical compound with molecular formula C15H20N6O2 and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
Also Known As: 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile, 3-(8-(cyclohexylamino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile
| Molecular Formula | C15H20N6O2 |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 1.08158 |
| Topological Polar Surface Area | 108.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.16476 |
| Heavy Atoms | 23 |
| Complexity | 862.9353 |
Chemical Identifiers
| CAS Number | 121511-63-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCC#N |
Product Overview
3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile (CAS 121511-63-5), with molecular formula C15H20N6O2 and molecular weight 316.16 g/mol. IUPAC: 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile.
Chemical Property Profile of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
Property Insights of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
The XLogP value of 1.08158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile. The TPSA of 108.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile has 2 hydrogen bond donor(s) and 5 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-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile?
The CAS number of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile is 121511-63-5.
What is the molecular formula of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile?
The molecular formula of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile is C15H20N6O2.
What is the molecular weight of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile?
The molecular weight of 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile is 316.16 g/mol.
Where can I buy 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile?
You can request a quote for 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-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-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.