![N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline structure](/static/products/2407/240799-82-0.webp)
N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline
TL;DR: N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline (CAS 240799-82-0) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-methylsulfanylaniline
Also Known As: Jbuqbbnn, N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline, N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-methylsulfanylaniline, N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-methylsulfanylaniline
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 3.69592 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 652.061 |
Chemical Identifiers
| CAS Number | 240799-82-0 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC(=CC=C2)SC |
Product Overview
N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline (CAS 240799-82-0), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-methylsulfanylaniline.
Chemical Property Profile of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline
Property Insights of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline
The XLogP value of 3.69592 indicates that N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline 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 N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline. Following Lipinski's Rule of Five, N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)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 N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline?
The CAS number of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline is 240799-82-0.
What is the molecular formula of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline?
The molecular formula of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline is C13H13N3O3S.
What is the molecular weight of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline?
The molecular weight of N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline is 291.07 g/mol.
Where can I buy N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline?
You can request a quote for N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-3-(methylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.