![3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline structure](/static/products/2407/240799-45-5.webp)
3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline
TL;DR: 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline (CAS 240799-45-5) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Also Known As: 3-methoxy-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline, 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline, 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]aniline
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.98262 |
| Topological Polar Surface Area | 90.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 648.81586 |
Chemical Identifiers
| CAS Number | 240799-45-5 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC(=CC=C2)OC |
Product Overview
3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline (CAS 240799-45-5), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: 3-methoxy-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline.
Chemical Property Profile of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline
Property Insights of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline
The XLogP value of 2.98262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline. The TPSA of 90.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline. Following Lipinski's Rule of Five, 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline has 1 hydrogen bond donor(s) and 6 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 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline?
The CAS number of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline is 240799-45-5.
What is the molecular formula of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline?
The molecular formula of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline is C13H13N3O4.
What is the molecular weight of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline?
The molecular weight of 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline is 275.09 g/mol.
Where can I buy 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline?
You can request a quote for 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.