2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate
TL;DR: 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate (CAS 708217-76-9) is a chemical compound with molecular formula C27H26N2O6 and molecular weight 474.18 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]-5-methoxyphenyl] benzoate
Also Known As: 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate, 2-[1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl benzoate, [2-[1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydropyrazol-3-yl]-5-methoxy-phenyl] Benzoate, [2-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-5-methoxyphenyl] benzoate
| Molecular Formula | C27H26N2O6 |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 4.6292 |
| Topological Polar Surface Area | 86.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.17908 |
| Heavy Atoms | 35 |
| Complexity | 1271.9181 |
Chemical Identifiers
| CAS Number | 708217-76-9 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=C(C=C(C=C2)OC)OC(=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)-5-methoxyphenyl benzoate (CAS 708217-76-9), with molecular formula C27H26N2O6 and molecular weight 474.18 g/mol. IUPAC: [2-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-5-methoxyphenyl] benzoate.
Chemical Property Profile of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate
Property Insights of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate
The XLogP value of 4.6292 indicates that 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.66 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)-5-methoxyphenyl benzoate. Following Lipinski's Rule of Five, 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate has 0 hydrogen bond donor(s) and 7 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)-5-methoxyphenyl benzoate?
The CAS number of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate is 708217-76-9.
What is the molecular formula of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate?
The molecular formula of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate is C27H26N2O6.
What is the molecular weight of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate?
The molecular weight of 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate is 474.18 g/mol.
Where can I buy 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate?
You can request a quote for 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl 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)-5-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.