5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole
TL;DR: 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole (CAS 62260-72-4) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole
Also Known As: 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole, 5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole, 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole, Isoxazole, 4,5-dihydro-5,5-dimethyl-4-nitro-3-phenyl-, A3970/0169261
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.8448 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 439.8027 |
Chemical Identifiers
| CAS Number | 62260-72-4 |
|---|---|
| SMILES | CC1(C(C(=NO1)C2=CC=CC=C2)[N+](=O)[O-])C |
Product Overview
5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole (CAS 62260-72-4), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole.
Chemical Property Profile of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole
Property Insights of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole
The XLogP value of 1.8448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole. Following Lipinski's Rule of Five, 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole 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 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole?
The CAS number of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole is 62260-72-4.
What is the molecular formula of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole?
The molecular formula of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole is C11H12N2O3.
What is the molecular weight of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole?
The molecular weight of 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole is 220.08 g/mol.
Where can I buy 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole?
You can request a quote for 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-4-nitro-3-phenyl-4,5-dihydroisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.