(E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate (CAS 1093401-60-5) is a chemical compound with molecular formula C26H21ClN4O4 and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[3-[3-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, methyl 4-[(E)-[[3-[3-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C26H21ClN4O4 |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 4.8596 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.12512 |
| Heavy Atoms | 35 |
| Complexity | 1365.7966 |
Chemical Identifiers
| CAS Number | 1093401-60-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OCC4=CC=CC=C4Cl |
Product Overview
(E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate (CAS 1093401-60-5), with molecular formula C26H21ClN4O4 and molecular weight 488.13 g/mol. IUPAC: methyl 4-[(E)-[[3-[3-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
The XLogP value of 4.8596 indicates that (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate 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)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is 1093401-60-5.
What is the molecular formula of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is C26H21ClN4O4.
What is the molecular weight of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is 488.13 g/mol.
Where can I buy (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(3-(3-((2-chlorobenzyl)oxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.