5-Phenylisoxazole-3-carboxaldehyde
TL;DR: 5-Phenylisoxazole-3-carboxaldehyde (CAS 59985-82-9) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,2-oxazole-3-carbaldehyde
Also Known As: 5-phenylisoxazole-3-carbaldehyde, 5-phenyl-1,2-oxazole-3-carbaldehyde, 5-Phenylisoxazole-3-carboxaldehyde, 3-Isoxazolecarboxaldehyde, 5-phenyl-, 3-Isoxazolecarboxaldehyde,5-phenyl-
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 2.1541 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 405.87292 |
Chemical Identifiers
| CAS Number | 59985-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)C=O |
Product Overview
5-Phenylisoxazole-3-carboxaldehyde (CAS 59985-82-9), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: 5-phenyl-1,2-oxazole-3-carbaldehyde.
Chemical Property Profile of 5-Phenylisoxazole-3-carboxaldehyde
Property Insights of 5-Phenylisoxazole-3-carboxaldehyde
The XLogP value of 2.1541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylisoxazole-3-carboxaldehyde. With a topological polar surface area (TPSA) of 43.1 Ų, 5-Phenylisoxazole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylisoxazole-3-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-Phenylisoxazole-3-carboxaldehyde?
The CAS number of 5-Phenylisoxazole-3-carboxaldehyde is 59985-82-9.
What is the molecular formula of 5-Phenylisoxazole-3-carboxaldehyde?
The molecular formula of 5-Phenylisoxazole-3-carboxaldehyde is C10H7NO2.
What is the molecular weight of 5-Phenylisoxazole-3-carboxaldehyde?
The molecular weight of 5-Phenylisoxazole-3-carboxaldehyde is 173.05 g/mol.
Where can I buy 5-Phenylisoxazole-3-carboxaldehyde?
You can request a quote for 5-Phenylisoxazole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylisoxazole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylisoxazole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.