5-Thiophen-2-yl-isoxazole-3-carbaldehyde
TL;DR: 5-Thiophen-2-yl-isoxazole-3-carbaldehyde (CAS 465514-11-8) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde
Also Known As: 5-(2-Thienyl)-3-isoxazolecarbaldehyde, 5-Thiophen-2-yl-isoxazole-3-carbaldehyde, 5-(thiophen-2-yl)isoxazole-3-carbaldehyde, 3-Formyl-5-(thien-2-yl)isoxazole, 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde
Technical Specifications
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.0041 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.0041 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | C1=CSC(=C1)C2=CC(=NO2)C=O |
| InChIKey | ICENILRKNUKRPB-UHFFFAOYSA-N |
Chemical Property Profile of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde
Property Insights of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thiophen-2-yl-isoxazole-3-carbaldehyde. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiophen-2-yl-isoxazole-3-carbaldehyde. Following Lipinski's Rule of Five, 5-Thiophen-2-yl-isoxazole-3-carbaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde?
The CAS number of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde is 465514-11-8.
What is the molecular formula of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde?
The molecular formula of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde is C8H5NO2S.
What is the molecular weight of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde?
The molecular weight of 5-Thiophen-2-yl-isoxazole-3-carbaldehyde is 179.0041 g/mol.
Where can I buy 5-Thiophen-2-yl-isoxazole-3-carbaldehyde?
You can request a quote for 5-Thiophen-2-yl-isoxazole-3-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Thiophen-2-yl-isoxazole-3-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 5-Thiophen-2-yl-isoxazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.