![(2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid structure](/static/products/330/330838-29-4.png)
(2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
TL;DR: (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid (CAS 330838-29-4) is a chemical compound with molecular formula C23H22BrN5O4S and molecular weight 543.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[[2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid, (2-{(E)-[2-({[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid, (E)-2-(2-((2-(2-((5-(4-bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid, [2-({2-[5-(4-Bromo-phenyl)-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazonomethyl)-phe noxy]-acetic acid, 2-[2-((1E)-2-{2-[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)(1,2,4-triazol-3-ylt hio)]acetylamino}-2-azavinyl)phenoxy]acetic acid
| Molecular Formula | C23H22BrN5O4S |
|---|---|
| Molecular Weight | 543.06 g/mol |
| LogP | 3.9895 |
| Topological Polar Surface Area | 118.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 543.0576 |
| Heavy Atoms | 34 |
| Complexity | 1210.3245 |
Chemical Identifiers
| CAS Number | 330838-29-4 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
(2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid (CAS 330838-29-4), with molecular formula C23H22BrN5O4S and molecular weight 543.06 g/mol. IUPAC: 2-[2-[(E)-[[2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
Property Insights of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
The XLogP value of 3.9895 indicates that (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid?
The CAS number of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid is 330838-29-4.
What is the molecular formula of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid?
The molecular formula of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid is C23H22BrN5O4S.
What is the molecular weight of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid?
The molecular weight of (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid is 543.06 g/mol.
Where can I buy (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid?
You can request a quote for (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{(E)-[({[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.