![2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide structure](/static/products/896/896699-64-2.png)
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
TL;DR: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide (CAS 896699-64-2) is a chemical compound with molecular formula C28H31N7OS and molecular weight 513.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
Also Known As: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide, 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide, 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)-N-(4-methylbenzyl)butanamide
| Molecular Formula | C28H31N7OS |
|---|---|
| Molecular Weight | 513.23 g/mol |
| LogP | 4.89816 |
| Topological Polar Surface Area | 100.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.2311 |
| Heavy Atoms | 37 |
| Complexity | 1535.162 |
Chemical Identifiers
| CAS Number | 896699-64-2 |
|---|---|
| SMILES | CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C |
Product Overview
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide (CAS 896699-64-2), with molecular formula C28H31N7OS and molecular weight 513.23 g/mol. IUPAC: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide.
Chemical Property Profile of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Property Insights of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
The XLogP value of 4.89816 indicates that 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide. Following Lipinski's Rule of Five, 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide?
The CAS number of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide is 896699-64-2.
What is the molecular formula of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide?
The molecular formula of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide is C28H31N7OS.
What is the molecular weight of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide?
The molecular weight of 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide is 513.23 g/mol.
Where can I buy 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide?
You can request a quote for 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.