4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine
TL;DR: 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine (CAS 240799-47-7) is a chemical compound with molecular formula C12H10ClN3O3 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Also Known As: 4-Chloro-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]benzenamine, N-(4-chlorophenyl)-N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]amine, 4-chloro-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline, 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine, N-(4-Chlorophenyl)-N-2-(3-methyl-4-nitro-5-isoxazolyl)vinylamine
| Molecular Formula | C12H10ClN3O3 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.62742 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.04108 |
| Heavy Atoms | 19 |
| Complexity | 619.6499 |
Chemical Identifiers
| CAS Number | 240799-47-7 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC=C(C=C2)Cl |
Product Overview
4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine (CAS 240799-47-7), with molecular formula C12H10ClN3O3 and molecular weight 279.04 g/mol. IUPAC: 4-chloro-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline.
Chemical Property Profile of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine
Property Insights of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine
The XLogP value of 3.62742 indicates that 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine. Following Lipinski's Rule of Five, 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine has 1 hydrogen bond donor(s) and 5 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-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine?
The CAS number of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine is 240799-47-7.
What is the molecular formula of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine?
The molecular formula of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine is C12H10ClN3O3.
What is the molecular weight of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine?
The molecular weight of 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine is 279.04 g/mol.
Where can I buy 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine?
You can request a quote for 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.