3,5-Dimethyl-4-phenylisoxazole
TL;DR: 3,5-Dimethyl-4-phenylisoxazole (CAS 4345-46-4) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-phenyl-1,2-oxazole
Also Known As: 3,5-dimethyl-4-phenyl-1,2-oxazole, null, 3,5-Dimethyl-4-phenylisoxazole, Isoxazole, 3,5-dimethyl-4-phenyl-, 3,5 Dimethyl-4-Phenyl-1,2-Oxazole
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.95844 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 383.78357 |
Chemical Identifiers
| CAS Number | 4345-46-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C2=CC=CC=C2 |
Product Overview
3,5-Dimethyl-4-phenylisoxazole (CAS 4345-46-4), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 3,5-dimethyl-4-phenyl-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethyl-4-phenylisoxazole
Property Insights of 3,5-Dimethyl-4-phenylisoxazole
The XLogP value of 2.95844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-phenylisoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 3,5-Dimethyl-4-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-phenylisoxazole has 0 hydrogen bond donor(s) and 2 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 3,5-Dimethyl-4-phenylisoxazole?
The CAS number of 3,5-Dimethyl-4-phenylisoxazole is 4345-46-4.
What is the molecular formula of 3,5-Dimethyl-4-phenylisoxazole?
The molecular formula of 3,5-Dimethyl-4-phenylisoxazole is C11H11NO.
What is the molecular weight of 3,5-Dimethyl-4-phenylisoxazole?
The molecular weight of 3,5-Dimethyl-4-phenylisoxazole is 173.08 g/mol.
Where can I buy 3,5-Dimethyl-4-phenylisoxazole?
You can request a quote for 3,5-Dimethyl-4-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.