![Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- structure](/static/products/7808/78080-53-2.webp)
Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-
TL;DR: Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- (CAS 78080-53-2) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-1,2-oxazole
Also Known As: 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-1,2-oxazole, Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-, 3-Methyl-4-nitro-5-[2-(4-nitrophenyl)ethen-1-yl]-1,2-oxazole
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.96982 |
| Topological Polar Surface Area | 112.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 687.6184 |
Chemical Identifiers
| CAS Number | 78080-53-2 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- (CAS 78080-53-2), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-1,2-oxazole.
Chemical Property Profile of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-
Property Insights of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-
The XLogP value of 2.96982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-. The TPSA of 112.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-. Following Lipinski's Rule of Five, Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- has 0 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 Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-?
The CAS number of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- is 78080-53-2.
What is the molecular formula of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-?
The molecular formula of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- is C12H9N3O5.
What is the molecular weight of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-?
The molecular weight of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- is 275.05 g/mol.
Where can I buy Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-?
You can request a quote for Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.