![8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile structure](/static/products/900/900296-22-2.png)
8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
TL;DR: 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 900296-22-2) is a chemical compound with molecular formula C27H24N6O4S and molecular weight 528.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,11-dimethyl-7-(4-methylanilino)-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile
Also Known As: 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 8,8-dimethyl-5-(4-methylanilino)-3-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8hpyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 8,8-dimethyl-5-[(4-methylphenyl)amino]-3-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C27H24N6O4S |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 5.3875 |
| Topological Polar Surface Area | 135.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.15796 |
| Heavy Atoms | 38 |
| Complexity | 1621.5709 |
Chemical Identifiers
| CAS Number | 900296-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C#N |
Product Overview
8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 900296-22-2), with molecular formula C27H24N6O4S and molecular weight 528.16 g/mol. IUPAC: 11,11-dimethyl-7-(4-methylanilino)-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile.
Chemical Property Profile of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Property Insights of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
The XLogP value of 5.3875 indicates that 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile. Following Lipinski's Rule of Five, 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The CAS number of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 900296-22-2.
What is the molecular formula of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The molecular formula of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is C27H24N6O4S.
What is the molecular weight of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The molecular weight of 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 528.16 g/mol.
Where can I buy 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
You can request a quote for 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.