(E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid
TL;DR: (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid (CAS 1037571-25-7) is a chemical compound with molecular formula C20H16N6O3S and molecular weight 420.10046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(E)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Also Known As: (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid, {2-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid, 2-(2-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavi nyl}phenoxy)acetic acid, 2-[2-[(E)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Technical Specifications
| Molecular Formula | C20H16N6O3S |
| Molecular Weight | 420.10046 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.10046 Da |
| Heavy Atoms | 30 |
| Complexity | 696.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=CC=CC=C4OCC(=O)O |
| InChIKey | OALFCMWMFNZHKL-SRZZPIQSSA-N |
Chemical Property Profile of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid
Property Insights of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid
The XLogP value of 3.1 indicates that (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid?
The CAS number of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is 1037571-25-7.
What is the molecular formula of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid?
The molecular formula of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is C20H16N6O3S.
What is the molecular weight of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid?
The molecular weight of (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is 420.10046 g/mol.
Where can I buy (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid?
You can request a quote for (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-(2-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.