(E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
TL;DR: (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-43-4) is a chemical compound with molecular formula C19H13ClN4O6S and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, 3-({4-chloro-5-[(E)-{2-[(4-nitrophenyl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoic acid, 3-[[4-chloro-5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
| Molecular Formula | C19H13ClN4O6S |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 2.9818 |
| Topological Polar Surface Area | 143.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.02444 |
| Heavy Atoms | 31 |
| Complexity | 1249.029 |
Chemical Identifiers
| CAS Number | 609790-43-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
(E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-43-4), with molecular formula C19H13ClN4O6S and molecular weight 460.02 g/mol. IUPAC: 3-[[4-chloro-5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
Property Insights of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
The XLogP value of 2.9818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid. The TPSA of 143.9 Ų indicates high polarity, suggesting (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)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-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The CAS number of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 609790-43-4.
What is the molecular formula of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular formula of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is C19H13ClN4O6S.
What is the molecular weight of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular weight of (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 460.02 g/mol.
Where can I buy (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
You can request a quote for (E)-3-((4-chloro-5-((2-(4-nitrobenzoyl)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-nitrobenzoyl)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-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.