![methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate structure](/static/products/3526/352681-65-3.webp)
methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate
TL;DR: methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate (CAS 352681-65-3) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate
Also Known As: methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate, methyl 4-({[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, methyl 4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]benzoate, methyl 4-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate, (Z)-methyl 4-(((1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.62806 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 1073.0415 |
Chemical Identifiers
| CAS Number | 352681-65-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=O)C(=C(N2)C)C=NC3=CC=C(C=C3)C(=O)OC)C |
Product Overview
methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate (CAS 352681-65-3), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: methyl 4-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate.
Chemical Property Profile of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate
Property Insights of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate
The XLogP value of 3.62806 indicates that methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-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 methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-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 methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate?
The CAS number of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate is 352681-65-3.
What is the molecular formula of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate?
The molecular formula of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate is C21H21N3O3.
What is the molecular weight of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate?
The molecular weight of methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate is 363.16 g/mol.
Where can I buy methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate?
You can request a quote for methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-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 methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.