3-Methyl-5-phenyl-isoxazole-4-carbaldehyde
TL;DR: 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde (CAS 89479-66-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde
Also Known As: 3-methyl-5-phenyl-isoxazole-4-carbaldehyde, 3-methyl-5-phenylisoxazole-4-carbaldehyde, 3-methyl-5-phenyl-4-isoxazolecarbaldehyde, 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde, BUTTPARK 95\50-98
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.46252 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 445.566 |
Chemical Identifiers
| CAS Number | 89479-66-3 |
|---|---|
| SMILES | CC1=NOC(=C1C=O)C2=CC=CC=C2 |
Product Overview
3-Methyl-5-phenyl-isoxazole-4-carbaldehyde (CAS 89479-66-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde.
Chemical Property Profile of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde
Property Insights of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde
The XLogP value of 2.46252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde 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-Methyl-5-phenyl-isoxazole-4-carbaldehyde?
The CAS number of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde is 89479-66-3.
What is the molecular formula of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde?
The molecular formula of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde is C11H9NO2.
What is the molecular weight of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde?
The molecular weight of 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde is 187.06 g/mol.
Where can I buy 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde?
You can request a quote for 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.