5-Methyl-3-phenylisoxazole-4-carboxaldehyde
TL;DR: 5-Methyl-3-phenylisoxazole-4-carboxaldehyde (CAS 4340-49-2) 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.
5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde
Also Known As: 5-Methyl-3-phenylisoxazole-4-carboxaldehyde, 5-methyl-3-phenylisoxazole-4-carbaldehyde, 5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde, 5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE, 5-methyl-3-phenyl-isoxazole-4-carbaldehyde
| 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 | 4340-49-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C=O |
Product Overview
5-Methyl-3-phenylisoxazole-4-carboxaldehyde (CAS 4340-49-2), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde.
Chemical Property Profile of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde
Property Insights of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde
The XLogP value of 2.46252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-phenylisoxazole-4-carboxaldehyde. With a topological polar surface area (TPSA) of 43.1 Ų, 5-Methyl-3-phenylisoxazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-phenylisoxazole-4-carboxaldehyde 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 5-Methyl-3-phenylisoxazole-4-carboxaldehyde?
The CAS number of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde is 4340-49-2.
What is the molecular formula of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde?
The molecular formula of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde is C11H9NO2.
What is the molecular weight of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde?
The molecular weight of 5-Methyl-3-phenylisoxazole-4-carboxaldehyde is 187.06 g/mol.
Where can I buy 5-Methyl-3-phenylisoxazole-4-carboxaldehyde?
You can request a quote for 5-Methyl-3-phenylisoxazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-phenylisoxazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-phenylisoxazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.