![3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile structure](/static/products/906/906261-58-3.png)
3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
TL;DR: 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 906261-58-3) is a chemical compound with molecular formula C27H25N7OS and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-benzimidazol-2-ylmethylsulfanyl)-11,11-dimethyl-7-(4-methylanilino)-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile
Also Known As: 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C27H25N7OS |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 5.6729 |
| Topological Polar Surface Area | 103.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.18414 |
| Heavy Atoms | 36 |
| Complexity | 1610.2899 |
Chemical Identifiers
| CAS Number | 906261-58-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC5=NC6=CC=CC=C6N5)C#N |
Product Overview
3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CAS 906261-58-3), with molecular formula C27H25N7OS and molecular weight 495.18 g/mol. IUPAC: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-11,11-dimethyl-7-(4-methylanilino)-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-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Property Insights of 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 5.6729 indicates that 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 103.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 906261-58-3.
What is the molecular formula of 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is C27H25N7OS.
What is the molecular weight of 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is 495.18 g/mol.
Where can I buy 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-8,8-dimethyl-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.