![ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate structure](/static/products/3526/352683-15-9.webp)
ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
TL;DR: ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate (CAS 352683-15-9) is a chemical compound with molecular formula C22H22ClN3O3 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate
Also Known As: ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, ethyl 2-chloro-5-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate, (Z)-ethyl 2-chloro-5-(((1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate, ethyl 2-chloro-5-({(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, ethyl 2-chloro-5-[[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate
| Molecular Formula | C22H22ClN3O3 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 4.67156 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.13498 |
| Heavy Atoms | 29 |
| Complexity | 1158.5946 |
Chemical Identifiers
| CAS Number | 352683-15-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)N=CC2=C(NN(C2=O)C3=CC(=C(C=C3)C)C)C)Cl |
Product Overview
ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate (CAS 352683-15-9), with molecular formula C22H22ClN3O3 and molecular weight 411.13 g/mol. IUPAC: ethyl 2-chloro-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate.
Chemical Property Profile of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Property Insights of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
The XLogP value of 4.67156 indicates that ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate has 1 hydrogen bond donor(s) and 4 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 ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The CAS number of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is 352683-15-9.
What is the molecular formula of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The molecular formula of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is C22H22ClN3O3.
What is the molecular weight of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The molecular weight of ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is 411.13 g/mol.
Where can I buy ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
You can request a quote for ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.