![3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide structure](/static/products/866/866589-27-7.png)
3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide
TL;DR: 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide (CAS 866589-27-7) is a chemical compound with molecular formula C27H24FN5O3 and molecular weight 485.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
Also Known As: 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide, 3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide, 3-[4-(4-fluorobenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(3-methoxybenzyl)propanamide
| Molecular Formula | C27H24FN5O3 |
|---|---|
| Molecular Weight | 485.19 g/mol |
| LogP | 3.4892 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.1863 |
| Heavy Atoms | 36 |
| Complexity | 1608.1798 |
Chemical Identifiers
| CAS Number | 866589-27-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNC(=O)CCC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F |
Product Overview
3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide (CAS 866589-27-7), with molecular formula C27H24FN5O3 and molecular weight 485.19 g/mol. IUPAC: 3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide.
Chemical Property Profile of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide
Property Insights of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide
The XLogP value of 3.4892 indicates that 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide. Following Lipinski's Rule of Five, 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide 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 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide?
The CAS number of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide is 866589-27-7.
What is the molecular formula of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide?
The molecular formula of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide is C27H24FN5O3.
What is the molecular weight of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide?
The molecular weight of 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide is 485.19 g/mol.
Where can I buy 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide?
You can request a quote for 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(3-methoxyphenyl)methyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.