3,5-Dimethyl-4-(phenoxymethyl)isoxazole
TL;DR: 3,5-Dimethyl-4-(phenoxymethyl)isoxazole (CAS 303985-55-9) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole
Also Known As: 3,5-dimethyl-4-(phenoxymethyl)isoxazole, 3,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole, isoxazole, 3,5-dimethyl-4-(phenoxymethyl)-
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.87044 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 414.6377 |
Chemical Identifiers
| CAS Number | 303985-55-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC2=CC=CC=C2 |
Product Overview
3,5-Dimethyl-4-(phenoxymethyl)isoxazole (CAS 303985-55-9), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole
Property Insights of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole
The XLogP value of 2.87044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-(phenoxymethyl)isoxazole. With a topological polar surface area (TPSA) of 35.26 Ų, 3,5-Dimethyl-4-(phenoxymethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-(phenoxymethyl)isoxazole has 0 hydrogen bond donor(s) and 3 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-(phenoxymethyl)isoxazole?
The CAS number of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole is 303985-55-9.
What is the molecular formula of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole?
The molecular formula of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole is C12H13NO2.
What is the molecular weight of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole?
The molecular weight of 3,5-Dimethyl-4-(phenoxymethyl)isoxazole is 203.09 g/mol.
Where can I buy 3,5-Dimethyl-4-(phenoxymethyl)isoxazole?
You can request a quote for 3,5-Dimethyl-4-(phenoxymethyl)isoxazole 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-(phenoxymethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-(phenoxymethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.