![4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid structure](/static/products/840/840458-18-6.png)
4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
TL;DR: 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid (CAS 840458-18-6) is a chemical compound with molecular formula C22H21N5O4 and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid
Also Known As: 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid, 3-{[7-(4-METHOXYPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID, 4-((7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-4-oxobutanoic acid, 4-[[7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C22H21N5O4 |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 3.146 |
| Topological Polar Surface Area | 118.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.15936 |
| Heavy Atoms | 31 |
| Complexity | 1122.5629 |
Chemical Identifiers
| CAS Number | 840458-18-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C=C(NC3=NC(=NN23)NC(=O)CCC(=O)O)C4=CC=CC=C4 |
Product Overview
4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid (CAS 840458-18-6), with molecular formula C22H21N5O4 and molecular weight 419.16 g/mol. IUPAC: 4-[[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Property Insights of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
The XLogP value of 3.146 indicates that 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid has 3 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 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid is 840458-18-6.
What is the molecular formula of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid is C22H21N5O4.
What is the molecular weight of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid is 419.16 g/mol.
Where can I buy 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.