3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde
TL;DR: 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde (CAS 849060-70-4) is a chemical compound with molecular formula C11H7Cl2NO2 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
Also Known As: 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carbaldehyde, 3-(2-Pyridyl)acrylic acid, 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde, 3- -5-METHYLISOXAZOLE-4-CARBALDEHYDE, 4-Isoxazolecarboxaldehyde,3-(2,6-dichlorophenyl)-5-methyl-
| Molecular Formula | C11H7Cl2NO2 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 3.76932 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.98538 |
| Heavy Atoms | 16 |
| Complexity | 528.6627 |
Chemical Identifiers
| CAS Number | 849060-70-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C=O |
Product Overview
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde (CAS 849060-70-4), with molecular formula C11H7Cl2NO2 and molecular weight 254.99 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde.
Chemical Property Profile of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde
Property Insights of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde
The XLogP value of 3.76932 indicates that 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-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-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde?
The CAS number of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde is 849060-70-4.
What is the molecular formula of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde?
The molecular formula of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde is C11H7Cl2NO2.
What is the molecular weight of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde?
The molecular weight of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde is 254.99 g/mol.
Where can I buy 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde?
You can request a quote for 3-(2,6-Dichlorophenyl)-5-methylisoxazole-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-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.