(E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
TL;DR: (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-34-3) is a chemical compound with molecular formula C19H13BrClN3O4S and molecular weight 492.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, 3-({5-[(E)-{2-[(3-bromophenyl)carbonyl]hydrazinylidene}methyl]-4-chloro-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoic acid, 3-[[5-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
| Molecular Formula | C19H13BrClN3O4S |
|---|---|
| Molecular Weight | 492.95 g/mol |
| LogP | 3.8361 |
| Topological Polar Surface Area | 100.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.94986 |
| Heavy Atoms | 29 |
| Complexity | 1172.2561 |
Chemical Identifiers
| CAS Number | 609790-34-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC(=CC=C3)Br)Cl |
Product Overview
(E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid (CAS 609790-34-3), with molecular formula C19H13BrClN3O4S and molecular weight 492.95 g/mol. IUPAC: 3-[[5-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
Property Insights of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid
The XLogP value of 3.8361 indicates that (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The CAS number of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 609790-34-3.
What is the molecular formula of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular formula of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is C19H13BrClN3O4S.
What is the molecular weight of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
The molecular weight of (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid is 492.95 g/mol.
Where can I buy (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
You can request a quote for (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-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-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((5-((2-(3-bromobenzoyl)hydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.