![2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide structure](/static/products/900/900896-65-3.png)
2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide
TL;DR: 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 900896-65-3) is a chemical compound with molecular formula C27H26N6O3S and molecular weight 514.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-anilino-8-cyano-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-[(5-anilino-6-cyano-8,8-dimethyl-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide, 2-{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C27H26N6O3S |
|---|---|
| Molecular Weight | 514.18 g/mol |
| LogP | 4.93528 |
| Topological Polar Surface Area | 113.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.1787 |
| Heavy Atoms | 37 |
| Complexity | 1510.3478 |
Chemical Identifiers
| CAS Number | 900896-65-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC(=O)NC5=CC(=CC=C5)OC)C |
Product Overview
2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 900896-65-3), with molecular formula C27H26N6O3S and molecular weight 514.18 g/mol. IUPAC: 2-[(7-anilino-8-cyano-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide
Property Insights of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide
The XLogP value of 4.93528 indicates that 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
The CAS number of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide is 900896-65-3.
What is the molecular formula of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
The molecular formula of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide is C27H26N6O3S.
What is the molecular weight of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
The molecular weight of 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide is 514.18 g/mol.
Where can I buy 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
You can request a quote for 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(3-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.