2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate
TL;DR: 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate (CAS 847246-63-3) is a chemical compound with molecular formula C26H24N2O5 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
Also Known As: [2-[1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydropyrazol-3-yl]phenyl] Benzoate|[2-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate|2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate|2-[1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl benzoate
| Molecular Formula | C26H24N2O5 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 4.6206 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.16852 |
| Heavy Atoms | 33 |
| Complexity | 1206.314 |
Chemical Identifiers
| CAS Number | 847246-63-3 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC |
Product Overview
2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate (CAS 847246-63-3), with molecular formula C26H24N2O5 and molecular weight 444.17 g/mol. IUPAC: [2-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate.
Chemical Property Profile of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate
Property Insights of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate
The XLogP value of 4.6206 indicates that 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate. Following Lipinski's Rule of Five, 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate has 0 hydrogen bond donor(s) and 6 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-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate?
The CAS number of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate is 847246-63-3.
What is the molecular formula of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate?
The molecular formula of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate is C26H24N2O5.
What is the molecular weight of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate?
The molecular weight of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate is 444.17 g/mol.
Where can I buy 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate?
You can request a quote for 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.