2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate
TL;DR: 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate (CAS 956964-02-6) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate
Also Known As: 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate, [(3,4-dimethylphenyl)carbamoyl]methyl 4-(1H-pyrazol-1-yl)benzoate, [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate, [2-(3,4-dimethylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate, [(3,4-dimethylphenyl)carbamoyl]methyl 4-(pyrazol-1-yl)benzoate
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.28464 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 915.98425 |
Chemical Identifiers
| CAS Number | 956964-02-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C |
Product Overview
2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate (CAS 956964-02-6), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate.
Chemical Property Profile of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate
Property Insights of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate
The XLogP value of 3.28464 indicates that 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate. Following Lipinski's Rule of Five, 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)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 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate?
The CAS number of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate is 956964-02-6.
What is the molecular formula of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate?
The molecular formula of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate is C20H19N3O3.
What is the molecular weight of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate?
The molecular weight of 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate is 349.14 g/mol.
Where can I buy 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate?
You can request a quote for 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.