![2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide structure](/static/products/2104/210411-28-2.webp)
2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
TL;DR: 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CAS 210411-28-2) is a chemical compound with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-({4-Methyl-5-[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
| Molecular Formula | C21H20N6O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 2.3836 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.13684 |
| Heavy Atoms | 30 |
| Complexity | 1265.7233 |
Chemical Identifiers
| CAS Number | 210411-28-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=NN(C(=O)C4=CC=CC=C43)C |
Product Overview
2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CAS 210411-28-2), with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol. IUPAC: 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Property Insights of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
The XLogP value of 2.3836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide. Following Lipinski's Rule of Five, 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has 1 hydrogen bond donor(s) and 6 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-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The CAS number of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is 210411-28-2.
What is the molecular formula of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The molecular formula of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is C21H20N6O2S.
What is the molecular weight of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The molecular weight of 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is 420.14 g/mol.
Where can I buy 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
You can request a quote for 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.