Isoxazole, 3-(2,4,6-trimethylphenyl)-
TL;DR: Isoxazole, 3-(2,4,6-trimethylphenyl)- (CAS 49748-48-3) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trimethylphenyl)-1,2-oxazole
Also Known As: 3-Mesitylisoxazole, 3-mesityl-isoxazole, Isoxazole, 3-(2,4,6-trimethylphenyl)-, 3-(2,4,6-trimethylphenyl)-1,2-oxazole, 3-(2,4,6-trimethyl-phenyl)-isoxazole
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 3.26686 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 420.34534 |
Chemical Identifiers
| CAS Number | 49748-48-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=NOC=C2)C |
Product Overview
Isoxazole, 3-(2,4,6-trimethylphenyl)- (CAS 49748-48-3), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 3-(2,4,6-trimethylphenyl)-1,2-oxazole.
Chemical Property Profile of Isoxazole, 3-(2,4,6-trimethylphenyl)-
Property Insights of Isoxazole, 3-(2,4,6-trimethylphenyl)-
The XLogP value of 3.26686 indicates that Isoxazole, 3-(2,4,6-trimethylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, Isoxazole, 3-(2,4,6-trimethylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-(2,4,6-trimethylphenyl)- 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 Isoxazole, 3-(2,4,6-trimethylphenyl)-?
The CAS number of Isoxazole, 3-(2,4,6-trimethylphenyl)- is 49748-48-3.
What is the molecular formula of Isoxazole, 3-(2,4,6-trimethylphenyl)-?
The molecular formula of Isoxazole, 3-(2,4,6-trimethylphenyl)- is C12H13NO.
What is the molecular weight of Isoxazole, 3-(2,4,6-trimethylphenyl)-?
The molecular weight of Isoxazole, 3-(2,4,6-trimethylphenyl)- is 187.10 g/mol.
Where can I buy Isoxazole, 3-(2,4,6-trimethylphenyl)-?
You can request a quote for Isoxazole, 3-(2,4,6-trimethylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 3-(2,4,6-trimethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-(2,4,6-trimethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.