3,5-Dimethyl-4-Isoxazolecarbaldehyde
TL;DR: 3,5-Dimethyl-4-Isoxazolecarbaldehyde (CAS 5469-80-7) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1,2-oxazole-4-carbaldehyde
Also Known As: 3,5-Dimethyl-4-Isoxazolecarbaldehyde, 3,5-dimethylisoxazole-4-carbaldehyde, 3,5-dimethyl-1,2-oxazole-4-carbaldehyde, 3,5-DIMETHYLISOXAZOLE-4-CARBOXALDEHYDE, 3,5-Dimethyl-4-formalisoxazole
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 5469-80-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C=O |
| InChIKey | TVAYXKLCEILMEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-Isoxazolecarbaldehyde (CAS 5469-80-7), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde.
Chemical Property Profile of 3,5-Dimethyl-4-Isoxazolecarbaldehyde
Property Insights of 3,5-Dimethyl-4-Isoxazolecarbaldehyde
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-Isoxazolecarbaldehyde. With a topological polar surface area (TPSA) of 43.1 Ų, 3,5-Dimethyl-4-Isoxazolecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-Isoxazolecarbaldehyde 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-Isoxazolecarbaldehyde?
The CAS number of 3,5-Dimethyl-4-Isoxazolecarbaldehyde is 5469-80-7.
What is the molecular formula of 3,5-Dimethyl-4-Isoxazolecarbaldehyde?
The molecular formula of 3,5-Dimethyl-4-Isoxazolecarbaldehyde is C6H7NO2.
What is the molecular weight of 3,5-Dimethyl-4-Isoxazolecarbaldehyde?
The molecular weight of 3,5-Dimethyl-4-Isoxazolecarbaldehyde is 125.05 g/mol.
Where can I buy 3,5-Dimethyl-4-Isoxazolecarbaldehyde?
You can request a quote for 3,5-Dimethyl-4-Isoxazolecarbaldehyde 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-Isoxazolecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-Isoxazolecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.