2-Octen-4-one
TL;DR: 2-Octen-4-one (CAS 370847-00-0) is a chemical compound with molecular formula C21H17BrClN3O2 and molecular weight 457.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-bromophenyl)-3-(2-chloro-7-methoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: 2-Octen-4-one, 1-[5-(4-bromophenyl)-3-(2-chloro-7-methoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone, 1-(3-(4-bromophenyl)-5-(2-chloro-7-methoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 1-[3-(4-bromophenyl)-5-(2-chloro-7-methoxy-quinolin-3-yl)-4,5-dihydropyrazol-1-yl]ethanone, 1-[3-(4-bromophenyl)-5-(2-chloro-7-methoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
| Molecular Formula | C21H17BrClN3O2 |
|---|---|
| Molecular Weight | 457.02 g/mol |
| LogP | 5.3569 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.01926 |
| Heavy Atoms | 28 |
| Complexity | 1098.7511 |
Chemical Identifiers
| CAS Number | 370847-00-0 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=C(N=C4C=C(C=CC4=C3)OC)Cl |
Product Overview
2-Octen-4-one (CAS 370847-00-0), with molecular formula C21H17BrClN3O2 and molecular weight 457.02 g/mol. IUPAC: 1-[5-(4-bromophenyl)-3-(2-chloro-7-methoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of 2-Octen-4-one
Property Insights of 2-Octen-4-one
The XLogP value of 5.3569 indicates that 2-Octen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, 2-Octen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octen-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octen-4-one?
The CAS number of 2-Octen-4-one is 370847-00-0.
What is the molecular formula of 2-Octen-4-one?
The molecular formula of 2-Octen-4-one is C21H17BrClN3O2.
What is the molecular weight of 2-Octen-4-one?
The molecular weight of 2-Octen-4-one is 457.02 g/mol.
Where can I buy 2-Octen-4-one?
You can request a quote for 2-Octen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Octen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.