![2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile structure](/static/products/3280/328068-41-3.webp)
2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile
TL;DR: 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile (CAS 328068-41-3) is a chemical compound with molecular formula C22H17N7O3S and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile, 6-amino-3-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-5-cyano-3-(3-cyano-4,6-dimethylpyridin-2-ylthiomethyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole
| Molecular Formula | C22H17N7O3S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 3.7119 |
| Topological Polar Surface Area | 167.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.11136 |
| Heavy Atoms | 33 |
| Complexity | 1397.9465 |
Chemical Identifiers
| CAS Number | 328068-41-3 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4[N+](=O)[O-])C |
Product Overview
2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile (CAS 328068-41-3), with molecular formula C22H17N7O3S and molecular weight 459.11 g/mol. IUPAC: 6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile
Property Insights of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile
The XLogP value of 3.7119 indicates that 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.54 Ų indicates high polarity, suggesting 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile has 2 hydrogen bond donor(s) and 9 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 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The CAS number of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile is 328068-41-3.
What is the molecular formula of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The molecular formula of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile is C22H17N7O3S.
What is the molecular weight of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The molecular weight of 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile is 459.11 g/mol.
Where can I buy 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
You can request a quote for 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.