![N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline structure](/static/products/913/91397-35-2.png)
N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
TL;DR: N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline (CAS 91397-35-2) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 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]aniline
Also Known As: N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline, N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]aniline
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 2.97402 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 575.5085 |
Chemical Identifiers
| CAS Number | 91397-35-2 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC=CC=C2 |
Product Overview
N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline (CAS 91397-35-2), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline.
Chemical Property Profile of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Property Insights of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
The XLogP value of 2.97402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline. Following Lipinski's Rule of Five, N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline 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 N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
The CAS number of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is 91397-35-2.
What is the molecular formula of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
The molecular formula of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is C12H11N3O3.
What is the molecular weight of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
The molecular weight of N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is 245.08 g/mol.
Where can I buy N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
You can request a quote for N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]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-1,2-oxazol-5-yl)ethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.