![3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile structure](/static/products/121/121511-67-9.png)
3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile
TL;DR: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile (CAS 121511-67-9) is a chemical compound with molecular formula C16H16N6O2 and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile
Also Known As: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile, 3-{3-methyl-8-[(3-methylphenyl)amino]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}propanenitrile, 3-(3-methyl-2,6-dioxo-8-(m-tolylamino)-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile
| Molecular Formula | C16H16N6O2 |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 1.389 |
| Topological Polar Surface Area | 108.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.13348 |
| Heavy Atoms | 24 |
| Complexity | 1066.8319 |
Chemical Identifiers
| CAS Number | 121511-67-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C |
Product Overview
3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile (CAS 121511-67-9), with molecular formula C16H16N6O2 and molecular weight 324.13 g/mol. IUPAC: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile.
Chemical Property Profile of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile
Property Insights of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile
The XLogP value of 1.389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile. The TPSA of 108.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[3-methyl-8-(3-methylanilino)-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-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile?
The CAS number of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile is 121511-67-9.
What is the molecular formula of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile?
The molecular formula of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile is C16H16N6O2.
What is the molecular weight of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile?
The molecular weight of 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile is 324.13 g/mol.
Where can I buy 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile?
You can request a quote for 3-[3-methyl-8-(3-methylanilino)-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-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.