![2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid structure](/static/products/866/866149-17-9.png)
2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid
TL;DR: 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid (CAS 866149-17-9) is a chemical compound with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]propanoic acid
Also Known As: 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid, 9W-0819, 2-[3-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]propanoic Acid, 2-[4-(4-benzyloxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]propanoic acid, 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-1,2,4-triazol-1-yl}propanoic acid
| Molecular Formula | C19H19N3O4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.56702 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.13754 |
| Heavy Atoms | 26 |
| Complexity | 958.69934 |
Chemical Identifiers
| CAS Number | 866149-17-9 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(C)C(=O)O |
Product Overview
2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid (CAS 866149-17-9), with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol. IUPAC: 2-[3-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]propanoic acid.
Chemical Property Profile of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid
Property Insights of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid
The XLogP value of 2.56702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid. The TPSA of 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid. Following Lipinski's Rule of Five, 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid has 1 hydrogen bond donor(s) and 4 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 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid?
The CAS number of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid is 866149-17-9.
What is the molecular formula of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid?
The molecular formula of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid is C19H19N3O4.
What is the molecular weight of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid?
The molecular weight of 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid is 353.14 g/mol.
Where can I buy 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid?
You can request a quote for 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[4-(benzyloxy)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.