![8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile structure](/static/products/902/902017-12-3.png)
8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
TL;DR: 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 902017-12-3) is a chemical compound with molecular formula C27H27N5OS and molecular weight 469.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-anilino-11,11-dimethyl-5-(3-phenylpropylsulfanyl)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 8,8-dimethyl-5-(phenylamino)-3-[(3-phenylpropyl)sulfanyl]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C27H27N5OS |
|---|---|
| Molecular Weight | 469.19 g/mol |
| LogP | 5.92078 |
| Topological Polar Surface Area | 75.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.19363 |
| Heavy Atoms | 34 |
| Complexity | 1342.7058 |
Chemical Identifiers
| CAS Number | 902017-12-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCCCC5=CC=CC=C5)C |
Product Overview
8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 902017-12-3), with molecular formula C27H27N5OS and molecular weight 469.19 g/mol. IUPAC: 7-anilino-11,11-dimethyl-5-(3-phenylpropylsulfanyl)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Property Insights of 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
The XLogP value of 5.92078 indicates that 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-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 75.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-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 6 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-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 902017-12-3.
What is the molecular formula of 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is C27H27N5OS.
What is the molecular weight of 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 469.19 g/mol.
Where can I buy 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-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-5-(phenylamino)-3-((3-phenylpropyl)thio)-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.