![2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide structure](/static/products/896/896699-59-5.png)
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide (CAS 896699-59-5) is a chemical compound with molecular formula C27H29N7O2S and molecular weight 515.21 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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide, 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide, 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)-N-(3-methoxyphenyl)butanamide
| Molecular Formula | C27H29N7O2S |
|---|---|
| Molecular Weight | 515.21 g/mol |
| LogP | 4.92064 |
| Topological Polar Surface Area | 110.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.2103 |
| Heavy Atoms | 37 |
| Complexity | 1556.636 |
Chemical Identifiers
| CAS Number | 896699-59-5 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC(=CC=C1)OC)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-(3-methoxyphenyl)butanamide (CAS 896699-59-5), with molecular formula C27H29N7O2S and molecular weight 515.21 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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide
The XLogP value of 4.92064 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-(3-methoxyphenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.09 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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide has 2 hydrogen bond donor(s) and 7 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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide is 896699-59-5.
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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide is C27H29N7O2S.
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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide is 515.21 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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.