![methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate structure](/static/products/3526/352683-73-9.webp)
methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
TL;DR: methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate (CAS 352683-73-9) is a chemical compound with molecular formula C23H18ClN3O3 and molecular weight 419.10 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-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]benzoate
Also Known As: methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, methyl 2-chloro-5-[[(Z)-(3-methyl-1-naphthalen-1-yl-5-oxopyrazol-4-ylidene)methyl]amino]benzoate, methyl 2-chloro-5-[(3-methyl-1-naphthalen-1-yl-5-oxopyrazol-4-ylidene)methylamino]benzoate, (Z)-methyl 2-chloro-5-(((3-methyl-1-(naphthalen-1-yl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate, methyl 2-chloro-5-({(Z)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
| Molecular Formula | C23H18ClN3O3 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 4.81782 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.10367 |
| Heavy Atoms | 30 |
| Complexity | 1346.3148 |
Chemical Identifiers
| CAS Number | 352683-73-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC3=CC=CC=C32)C=NC4=CC(=C(C=C4)Cl)C(=O)OC |
Product Overview
methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate (CAS 352683-73-9), with molecular formula C23H18ClN3O3 and molecular weight 419.10 g/mol. IUPAC: methyl 2-chloro-5-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Property Insights of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
The XLogP value of 4.81782 indicates that methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-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-(1-naphthyl)-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-(1-naphthyl)-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-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The CAS number of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is 352683-73-9.
What is the molecular formula of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The molecular formula of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is C23H18ClN3O3.
What is the molecular weight of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate?
The molecular weight of methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate is 419.10 g/mol.
Where can I buy methyl 2-chloro-5-({[3-methyl-1-(1-naphthyl)-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-(1-naphthyl)-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-(1-naphthyl)-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-(1-naphthyl)-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.