![Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- structure](/static/products/5355/53557-95-2.webp)
Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-
TL;DR: Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- (CAS 53557-95-2) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole, Isoxazole,5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro, 5-[2-(4-Methoxyphenyl)ethen-1-yl]-3-methyl-4-nitro-1,2-oxazole
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 53557-95-2 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=C(C=C2)OC |
| InChIKey | YTRXYZQOCQHIMO-UHFFFAOYSA-N |
Product Overview
Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- (CAS 53557-95-2), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-
Property Insights of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-. Following Lipinski's Rule of Five, Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- has 0 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 Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-?
The CAS number of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- is 53557-95-2.
What is the molecular formula of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-?
The molecular formula of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- is C13H12N2O4.
What is the molecular weight of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-?
The molecular weight of Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- is 260.08 g/mol.
Where can I buy Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-?
You can request a quote for Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.