2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate
TL;DR: 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate (CAS 799773-49-2) is a chemical compound with molecular formula C19H17BrN2O3 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-acetyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate
Also Known As: [2-[2-acetyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate|2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate|2-[1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl acetate
| Molecular Formula | C19H17BrN2O3 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 4.072 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.04224 |
| Heavy Atoms | 25 |
| Complexity | 846.0026 |
Chemical Identifiers
| CAS Number | 799773-49-2 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=C(C=C3)Br |
Product Overview
2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate (CAS 799773-49-2), with molecular formula C19H17BrN2O3 and molecular weight 400.04 g/mol. IUPAC: [2-[2-acetyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate.
Chemical Property Profile of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate
Property Insights of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate
The XLogP value of 4.072 indicates that 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate has 0 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-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate?
The CAS number of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate is 799773-49-2.
What is the molecular formula of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate?
The molecular formula of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate is C19H17BrN2O3.
What is the molecular weight of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate?
The molecular weight of 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate is 400.04 g/mol.
Where can I buy 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate?
You can request a quote for 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-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 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.