![methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate structure](/static/products/3549/354994-87-9.webp)
methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
TL;DR: methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate (CAS 354994-87-9) is a chemical compound with molecular formula C20H18ClN3O3 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate
Also Known As: methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, methyl 2-chloro-5-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]benzoate, (Z)-methyl 2-chloro-5-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate, methyl 2-chloro-5-({(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, METHYL 2-CHLORO-5-({[3-METHYL-1-(4-METHYLPHENYL)-5-OXO-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN]METHYL}AMINO)BENZOATE
| Molecular Formula | C20H18ClN3O3 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 3.97304 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.10367 |
| Heavy Atoms | 27 |
| Complexity | 1078.8417 |
Chemical Identifiers
| CAS Number | 354994-87-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=NC3=CC(=C(C=C3)Cl)C(=O)OC |
Product Overview
methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate (CAS 354994-87-9), with molecular formula C20H18ClN3O3 and molecular weight 383.10 g/mol. IUPAC: methyl 2-chloro-5-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate.
Chemical Property Profile of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Property Insights of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
The XLogP value of 3.97304 indicates that methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-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 methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-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 methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The CAS number of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is 354994-87-9.
What is the molecular formula of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The molecular formula of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is C20H18ClN3O3.
What is the molecular weight of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The molecular weight of methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is 383.10 g/mol.
Where can I buy methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
You can request a quote for methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-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 methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-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.