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1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One
TL;DR: 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One (CAS 175277-36-8) is a chemical compound with molecular formula C11H7Cl2NO2 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
Also Known As: 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One, Maybridge1_008951, 1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone, 2-PYRIDIN-3-YL-BENZALDEHYDE, 1-(3-(3,4-Dichlorophenyl)isoxazol-5-yl)ethanone
| Molecular Formula | C11H7Cl2NO2 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 3.851 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.98538 |
| Heavy Atoms | 16 |
| Complexity | 548.6676 |
Chemical Identifiers
| CAS Number | 175277-36-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=NO1)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One (CAS 175277-36-8), with molecular formula C11H7Cl2NO2 and molecular weight 254.99 g/mol. IUPAC: 1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone.
Chemical Property Profile of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One
Property Insights of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One
The XLogP value of 3.851 indicates that 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One has 0 hydrogen bond donor(s) and 3 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 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One?
The CAS number of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One is 175277-36-8.
What is the molecular formula of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One?
The molecular formula of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One is C11H7Cl2NO2.
What is the molecular weight of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One?
The molecular weight of 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One is 254.99 g/mol.
Where can I buy 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One?
You can request a quote for 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.