(E)-2-(2-(((3-mercapto-5-(3-methyl-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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid (CAS 1046120-30-2) is a chemical compound with molecular formula C15H14N6O3S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Also Known As: (E)-2-(2-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid, {2-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid, 2-[2-[(E)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
| Molecular Formula | C15H14N6O3S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 1.98481 |
| Topological Polar Surface Area | 121.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.0848 |
| Heavy Atoms | 25 |
| Complexity | 987.0707 |
Chemical Identifiers
| CAS Number | 1046120-30-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3OCC(=O)O |
Product Overview
(E)-2-(2-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid (CAS 1046120-30-2), with molecular formula C15H14N6O3S and molecular weight 358.08 g/mol. IUPAC: 2-[2-[(E)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid.
Chemical Property Profile of (E)-2-(2-(((3-mercapto-5-(3-methyl-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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid
The XLogP value of 1.98481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid. The TPSA of 121.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (E)-2-(2-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic 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 (E)-2-(2-(((3-mercapto-5-(3-methyl-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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is 1046120-30-2.
What is the molecular formula of (E)-2-(2-(((3-mercapto-5-(3-methyl-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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is C15H14N6O3S.
What is the molecular weight of (E)-2-(2-(((3-mercapto-5-(3-methyl-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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid is 358.08 g/mol.
Where can I buy (E)-2-(2-(((3-mercapto-5-(3-methyl-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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(((3-mercapto-5-(3-methyl-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.