![2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide structure](/static/products/369/369402-74-4.png)
2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
TL;DR: 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 369402-74-4) is a chemical compound with molecular formula C21H21N5O3S2 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetamide
Also Known As: 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide, 2-{[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
| Molecular Formula | C21H21N5O3S2 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 2.83202 |
| Topological Polar Surface Area | 104.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.10858 |
| Heavy Atoms | 31 |
| Complexity | 1416.1656 |
Chemical Identifiers
| CAS Number | 369402-74-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N)SC5=C3CC(OC5)(C)C |
Product Overview
2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 369402-74-4), with molecular formula C21H21N5O3S2 and molecular weight 455.11 g/mol. IUPAC: 2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
Property Insights of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
The XLogP value of 2.83202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide. The TPSA of 104.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide 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 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The CAS number of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 369402-74-4.
What is the molecular formula of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular formula of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is C21H21N5O3S2.
What is the molecular weight of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular weight of 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 455.11 g/mol.
Where can I buy 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
You can request a quote for 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.