![5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile structure](/static/products/900/900267-52-9.png)
5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
TL;DR: 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 900267-52-9) is a chemical compound with molecular formula C24H26N6O2S and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-anilino-11,11-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile
Also Known As: 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 8,8-dimethyl-3-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C24H26N6O2S |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 3.91038 |
| Topological Polar Surface Area | 95.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1838 |
| Heavy Atoms | 33 |
| Complexity | 1241.5583 |
Chemical Identifiers
| CAS Number | 900267-52-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC(=O)N5CCCC5)C |
Product Overview
5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 900267-52-9), with molecular formula C24H26N6O2S and molecular weight 462.18 g/mol. IUPAC: 7-anilino-11,11-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)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 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Property Insights of 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
The XLogP value of 3.91038 indicates that 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-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 95.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile. Following Lipinski's Rule of Five, 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile 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 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The CAS number of 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 900267-52-9.
What is the molecular formula of 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The molecular formula of 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is C24H26N6O2S.
What is the molecular weight of 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The molecular weight of 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 462.18 g/mol.
Where can I buy 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
You can request a quote for 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-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 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-anilino-8,8-dimethyl-3-{[2-oxo-2-(pyrrolidin1-yl)ethyl]sulfanyl}-7,10-dihydro-8h-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.