(E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
TL;DR: (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609789-80-2) is a chemical compound with molecular formula C23H16ClN3O5S and molecular weight 481.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-5-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, 3-({4-chloro-5-[(E)-{2-[(3-hydroxynaphthalen-2-yl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoic acid, 3-[[4-chloranyl-2-oxidanylidene-5-[[(3-oxidanylnaphthalen-2-yl)carbonylhydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoic acid, 3-[[4-chloro-5-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid, 3-[[4-chloro-5-[[(3-hydroxy-2-naphthoyl)hydrazono]methyl]-2-keto-4-thiazolin-3-yl]methyl]benzoic acid
| Molecular Formula | C23H16ClN3O5S |
|---|---|
| Molecular Weight | 481.05 g/mol |
| LogP | 3.9324 |
| Topological Polar Surface Area | 120.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.04993 |
| Heavy Atoms | 33 |
| Complexity | 1474.7311 |
Chemical Identifiers
| CAS Number | 609789-80-2 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=C(N(C(=O)S3)CC4=CC(=CC=C4)C(=O)O)Cl)O |
Product Overview
(E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609789-80-2), with molecular formula C23H16ClN3O5S and molecular weight 481.05 g/mol. IUPAC: 3-[[4-chloro-5-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
Property Insights of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
The XLogP value of 3.9324 indicates that (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)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 120.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic 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)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The CAS number of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 609789-80-2.
What is the molecular formula of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular formula of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is C23H16ClN3O5S.
What is the molecular weight of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular weight of (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 481.05 g/mol.
Where can I buy (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
You can request a quote for (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)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-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-chloro-5-((2-(3-hydroxy-2-naphthoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.