4-Benzyl-3,5-dimethylisoxazole
TL;DR: 4-Benzyl-3,5-dimethylisoxazole (CAS 10557-84-3) 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.
4-benzyl-3,5-dimethyl-1,2-oxazole
Also Known As: 4-Benzyl-3,5-dimethylisoxazole, 4-benzyl-3,5-dimethyl-1,2-oxazole, 3,5-Dimethyl-4-benzylisoxazole, 4-Benzyl-3,5-dimethylisoxazole #, isoxazole, 4-benzyl-3,5-dimethyl-
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 10557-84-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CC2=CC=CC=C2 |
| InChIKey | JPBOUNOVBOOVFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyl-3,5-dimethylisoxazole (CAS 10557-84-3), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 4-benzyl-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-Benzyl-3,5-dimethylisoxazole
Property Insights of 4-Benzyl-3,5-dimethylisoxazole
The XLogP value of 3.1 indicates that 4-Benzyl-3,5-dimethylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Benzyl-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-3,5-dimethylisoxazole 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 4-Benzyl-3,5-dimethylisoxazole?
The CAS number of 4-Benzyl-3,5-dimethylisoxazole is 10557-84-3.
What is the molecular formula of 4-Benzyl-3,5-dimethylisoxazole?
The molecular formula of 4-Benzyl-3,5-dimethylisoxazole is C12H13NO.
What is the molecular weight of 4-Benzyl-3,5-dimethylisoxazole?
The molecular weight of 4-Benzyl-3,5-dimethylisoxazole is 187.10 g/mol.
Where can I buy 4-Benzyl-3,5-dimethylisoxazole?
You can request a quote for 4-Benzyl-3,5-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.