3-Methyl-4-nitro-5-styrylisoxazole
TL;DR: 3-Methyl-4-nitro-5-styrylisoxazole (CAS 51978-94-0) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-5-[(E)-2-phenylethenyl]-1,2-oxazole
Also Known As: 3-methyl-4-nitro-5-styrylisoxazole, 3-methyl-4-nitro-5-styryl-isoxazole, 3-methyl-4-nitro-5-trans-styryl-isoxazole, 3-Methyl-4-nitro-5-[(E)-styryl]isoxazole, 5-[(E)-Styryl]-3-methyl-4-nitroisoxazole
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 3.06162 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 558.38464 |
Chemical Identifiers
| CAS Number | 51978-94-0 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC=CC=C2 |
Product Overview
3-Methyl-4-nitro-5-styrylisoxazole (CAS 51978-94-0), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 3-methyl-4-nitro-5-[(E)-2-phenylethenyl]-1,2-oxazole.
Chemical Property Profile of 3-Methyl-4-nitro-5-styrylisoxazole
Property Insights of 3-Methyl-4-nitro-5-styrylisoxazole
The XLogP value of 3.06162 indicates that 3-Methyl-4-nitro-5-styrylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitro-5-styrylisoxazole. Following Lipinski's Rule of Five, 3-Methyl-4-nitro-5-styrylisoxazole has 0 hydrogen bond donor(s) and 4 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-Methyl-4-nitro-5-styrylisoxazole?
The CAS number of 3-Methyl-4-nitro-5-styrylisoxazole is 51978-94-0.
What is the molecular formula of 3-Methyl-4-nitro-5-styrylisoxazole?
The molecular formula of 3-Methyl-4-nitro-5-styrylisoxazole is C12H10N2O3.
What is the molecular weight of 3-Methyl-4-nitro-5-styrylisoxazole?
The molecular weight of 3-Methyl-4-nitro-5-styrylisoxazole is 230.07 g/mol.
Where can I buy 3-Methyl-4-nitro-5-styrylisoxazole?
You can request a quote for 3-Methyl-4-nitro-5-styrylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-nitro-5-styrylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitro-5-styrylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.