![4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile structure](/static/products/5405/540512-84-3.webp)
4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile (CAS 540512-84-3) is a chemical compound with molecular formula C22H15N7O2 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile, 4-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)quinolin-8-yl]amino}-5-nitrobenzene-1,2-dicarbonitrile, 4-((2-(3,5-dimethyl-1H-pyrazol-1-yl)quinolin-8-yl)amino)-5-nitrophthalonitrile
| Molecular Formula | C22H15N7O2 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.4325 |
| Topological Polar Surface Area | 133.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.12872 |
| Heavy Atoms | 31 |
| Complexity | 1440.9998 |
Chemical Identifiers
| CAS Number | 540512-84-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C=CC=C3NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-])C=C2)C |
Product Overview
4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile (CAS 540512-84-3), with molecular formula C22H15N7O2 and molecular weight 409.13 g/mol. IUPAC: 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 4.4325 indicates that 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile is 540512-84-3.
What is the molecular formula of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile is C22H15N7O2.
What is the molecular weight of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile is 409.13 g/mol.
Where can I buy 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.