4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
TL;DR: 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate (CAS 769153-53-9) is a chemical compound with molecular formula C23H17BrClN3O4 and molecular weight 513.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Also Known As: 4-bromo-2-((E)-{[oxo(4-toluidino)acetyl]hydrazono}methyl)phenyl 2-chlorobenzoate, 4-Bromo-2-((2-(2-oxo-2-(p-tolylamino)acetyl)hydrazono)methyl)phenyl 2-chlorobenzoate, 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate, [4-bromo-2-[[[(4-methylphenyl)carbamoylformyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate, 650-259-4
| Molecular Formula | C23H17BrClN3O4 |
|---|---|
| Molecular Weight | 513.01 g/mol |
| LogP | 4.71892 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.0091 |
| Heavy Atoms | 32 |
| Complexity | 1196.1008 |
Chemical Identifiers
| CAS Number | 769153-53-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl |
Product Overview
4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate (CAS 769153-53-9), with molecular formula C23H17BrClN3O4 and molecular weight 513.01 g/mol. IUPAC: [4-bromo-2-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
Property Insights of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
The XLogP value of 4.71892 indicates that 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The CAS number of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is 769153-53-9.
What is the molecular formula of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The molecular formula of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is C23H17BrClN3O4.
What is the molecular weight of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The molecular weight of 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is 513.01 g/mol.
Where can I buy 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
You can request a quote for 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.