N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide
TL;DR: N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide (CAS 76989-42-9) is a chemical compound with molecular formula C25H21N5OS and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(5-methyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-phenylacetamide
Also Known As: N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide, N-Benzyl-2-((5-methyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)thio)-N-phenylacetamide, N-benzyl-2-[(5-methyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl), N-benzyl-2-[(5-methyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-phenylacetamide, N-benzyl-2-[(5-methyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-phenyl-acetamide
| Molecular Formula | C25H21N5OS |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.14667 |
| Heavy Atoms | 32 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 76989-42-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C3=NN=C(N13)SCC(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | KCYYAXYSUZPACU-UHFFFAOYSA-N |
Product Overview
N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide (CAS 76989-42-9), with molecular formula C25H21N5OS and molecular weight 439.15 g/mol. IUPAC: N-benzyl-2-[(5-methyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide
Property Insights of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide
The XLogP value of 5.7 indicates that N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide?
The CAS number of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide is 76989-42-9.
What is the molecular formula of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide?
The molecular formula of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide is C25H21N5OS.
What is the molecular weight of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide?
The molecular weight of N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide is 439.15 g/mol.
Where can I buy N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide?
You can request a quote for N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-2-((5-methyl(1,2,4)triazolo(4,3-c)quinazolin-3-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.