![2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide structure](/static/products/7498/749889-45-0.webp)
2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
TL;DR: 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide (CAS 749889-45-0) is a chemical compound with molecular formula C16H17N5OS and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide, 2-(5,7-dimethyl(4-hydro-1,2,4-triazolo[4,5-a]pyrimidin-3-ylthio))-N-(3-methylp henyl)acetamide, 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C16H17N5OS |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 2.78036 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.1154 |
| Heavy Atoms | 23 |
| Complexity | 874.03314 |
Chemical Identifiers
| CAS Number | 749889-45-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C |
Product Overview
2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide (CAS 749889-45-0), with molecular formula C16H17N5OS and molecular weight 327.12 g/mol. IUPAC: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Property Insights of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
The XLogP value of 2.78036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide has 1 hydrogen bond donor(s) and 5 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-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The CAS number of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide is 749889-45-0.
What is the molecular formula of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The molecular formula of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide is C16H17N5OS.
What is the molecular weight of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The molecular weight of 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide is 327.12 g/mol.
Where can I buy 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
You can request a quote for 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.