(E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
TL;DR: (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-45-6) is a chemical compound with molecular formula C22H18ClN3O6S and molecular weight 487.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-5-[(E)-[(4-ethoxycarbonylbenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, 3-({4-chloro-5-[(E)-(2-{[4-(ethoxycarbonyl)phenyl]carbonyl}hydrazinylidene)methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoic acid, 3-[[4-chloro-5-[(E)-[(4-ethoxycarbonylbenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
| Molecular Formula | C22H18ClN3O6S |
|---|---|
| Molecular Weight | 487.06 g/mol |
| LogP | 3.2503 |
| Topological Polar Surface Area | 127.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.0605 |
| Heavy Atoms | 33 |
| Complexity | 1280.0284 |
Chemical Identifiers
| CAS Number | 609790-45-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)N/N=C/C2=C(N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O)Cl |
Product Overview
(E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-45-6), with molecular formula C22H18ClN3O6S and molecular weight 487.06 g/mol. IUPAC: 3-[[4-chloro-5-[(E)-[(4-ethoxycarbonylbenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
Property Insights of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
The XLogP value of 3.2503 indicates that (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic 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 (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The CAS number of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 609790-45-6.
What is the molecular formula of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular formula of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is C22H18ClN3O6S.
What is the molecular weight of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular weight of (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 487.06 g/mol.
Where can I buy (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
You can request a quote for (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-chloro-5-((2-(4-(ethoxycarbonyl)benzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.