![3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile structure](/static/products/900/900291-74-9.png)
3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
TL;DR: 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 900291-74-9) is a chemical compound with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-anilino-5-[(2-chlorophenyl)methylsulfanyl]-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile
Also Known As: 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 3-[(2-chlorobenzyl)sulfanyl]-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C25H22ClN5OS |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 6.14158 |
| Topological Polar Surface Area | 75.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12335 |
| Heavy Atoms | 33 |
| Complexity | 1377.319 |
Chemical Identifiers
| CAS Number | 900291-74-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC5=CC=CC=C5Cl)C |
Product Overview
3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 900291-74-9), with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol. IUPAC: 7-anilino-5-[(2-chlorophenyl)methylsulfanyl]-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile.
Chemical Property Profile of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Property Insights of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
The XLogP value of 6.14158 indicates that 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-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 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile. Following Lipinski's Rule of Five, 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-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 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The CAS number of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 900291-74-9.
What is the molecular formula of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The molecular formula of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is C25H22ClN5OS.
What is the molecular weight of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The molecular weight of 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 475.12 g/mol.
Where can I buy 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
You can request a quote for 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-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 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-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 3-((2-chlorobenzyl)thio)-8,8-dimethyl-5-(phenylamino)-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.