(Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid
TL;DR: (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid (CAS 380433-56-7) is a chemical compound with molecular formula C25H29N5O4S and molecular weight 495.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(Z)-[[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid, 2-[2-[(Z)-[[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C25H29N5O4S |
|---|---|
| Molecular Weight | 495.19 g/mol |
| LogP | 3.9683 |
| Topological Polar Surface Area | 118.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.19403 |
| Heavy Atoms | 35 |
| Complexity | 1199.3114 |
Chemical Identifiers
| CAS Number | 380433-56-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C\C2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
(Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid (CAS 380433-56-7), with molecular formula C25H29N5O4S and molecular weight 495.19 g/mol. IUPAC: 2-[2-[(Z)-[[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid
Property Insights of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid
The XLogP value of 3.9683 indicates that (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid has 2 hydrogen bond donor(s) and 7 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 (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
The CAS number of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is 380433-56-7.
What is the molecular formula of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
The molecular formula of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is C25H29N5O4S.
What is the molecular weight of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
The molecular weight of (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid is 495.19 g/mol.
Where can I buy (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
You can request a quote for (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)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 (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-((2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.