![4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate structure](/static/products/5855/585559-04-2.webp)
4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate
TL;DR: 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate (CAS 585559-04-2) is a chemical compound with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-acetyl-5-(2-acetyloxy-5-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] acetate
Also Known As: 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate, AO-022/41693928, [4-[2-acetyl-5-(2-acetyloxy-5-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] acetate, 4-(3-(2-acetoxy-5-chlorophenyl)-1-acetyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl acetate
| Molecular Formula | C21H19ClN2O5 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 3.8882 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.09824 |
| Heavy Atoms | 29 |
| Complexity | 1000.6311 |
Chemical Identifiers
| CAS Number | 585559-04-2 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC=C(C=C3)OC(=O)C |
Product Overview
4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate (CAS 585559-04-2), with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol. IUPAC: [4-[2-acetyl-5-(2-acetyloxy-5-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] acetate.
Chemical Property Profile of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate
Property Insights of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate
The XLogP value of 3.8882 indicates that 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate. Following Lipinski's Rule of Five, 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate 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 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate?
The CAS number of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate is 585559-04-2.
What is the molecular formula of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate?
The molecular formula of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate is C21H19ClN2O5.
What is the molecular weight of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate?
The molecular weight of 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate is 414.10 g/mol.
Where can I buy 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate?
You can request a quote for 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{1-acetyl-3-[2-(acetyloxy)-5-chlorophenyl]-4,5-dihydro-1H-pyrazol-5-yl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.