(E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid
TL;DR: (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-06-9) is a chemical compound with molecular formula C20H16ClN3O5S and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-2-oxo-5-[(E)-[(2-phenoxyacetyl)hydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid, 3-{4-Chloro-2-oxo-5-[(2-phenoxy-acetyl)-hydrazonomethyl]-thiazol-3-ylmethyl}-benzoic acid, 3-[[4-chloro-2-oxo-5-[(E)-[(2-phenoxyacetyl)hydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoic acid, 3-{[4-chloro-2-oxo-5-{(E)-[2-(phenoxyacetyl)hydrazinylidene]methyl}-1,3-thiazol-3(2H)-yl]methyl}benzoic acid
| Molecular Formula | C20H16ClN3O5S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 2.8388 |
| Topological Polar Surface Area | 109.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.04993 |
| Heavy Atoms | 30 |
| Complexity | 1140.8438 |
Chemical Identifiers
| CAS Number | 609790-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O)Cl |
Product Overview
(E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-06-9), with molecular formula C20H16ClN3O5S and molecular weight 445.05 g/mol. IUPAC: 3-[[4-chloro-2-oxo-5-[(E)-[(2-phenoxyacetyl)hydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid
Property Insights of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid
The XLogP value of 2.8388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid. The TPSA of 109.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid has 2 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)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid?
The CAS number of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid is 609790-06-9.
What is the molecular formula of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid?
The molecular formula of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid is C20H16ClN3O5S.
What is the molecular weight of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid?
The molecular weight of (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid is 445.05 g/mol.
Where can I buy (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid?
You can request a quote for (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-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-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-chloro-2-oxo-5-((2-(2-phenoxyacetyl)hydrazono)methyl)thiazol-3(2H)-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.