![5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole structure](/static/products/838/838814-89-4.png)
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
TL;DR: 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole (CAS 838814-89-4) is a chemical compound with molecular formula C12H8ClFN2O3 and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole, A4016/0171274, (E)-5-(2-chloro-6-fluorostyryl)-3-methyl-4-nitroisoxazole, 5-[(1E)-2-(2-CHLORO-6-FLUOROPHENYL)ETHENYL]-3-METHYL-4-NITRO-1,2-OXAZOLE
| Molecular Formula | C12H8ClFN2O3 |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 3.85412 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.02075 |
| Heavy Atoms | 19 |
| Complexity | 646.73926 |
Chemical Identifiers
| CAS Number | 838814-89-4 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=C(C=CC=C2Cl)F |
Product Overview
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole (CAS 838814-89-4), with molecular formula C12H8ClFN2O3 and molecular weight 282.02 g/mol. IUPAC: 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Property Insights of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
The XLogP value of 3.85412 indicates that 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole. Following Lipinski's Rule of Five, 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole 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 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The CAS number of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is 838814-89-4.
What is the molecular formula of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The molecular formula of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is C12H8ClFN2O3.
What is the molecular weight of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The molecular weight of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is 282.02 g/mol.
Where can I buy 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
You can request a quote for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.