3,5-Dimethylisoxazole-4-carbonyl Chloride
TL;DR: 3,5-Dimethylisoxazole-4-carbonyl Chloride (CAS 31301-45-8) is a chemical compound with molecular formula C6H6ClNO2 and molecular weight 159.01 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-carbonyl chloride
Also Known As: 3,5-dimethylisoxazole-4-carbonyl chloride, 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride, dimethyl-1,2-oxazole-4-carbonyl chloride, 4-Isoxazolecarbonyl chloride, 3,5-dimethyl-, 3,5-dimethylisoxazole-4-carbonylchloride
| Molecular Formula | C6H6ClNO2 |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 1.67044 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.00871 |
| Heavy Atoms | 10 |
| Complexity | 247.21158 |
Chemical Identifiers
| CAS Number | 31301-45-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)Cl |
Product Overview
3,5-Dimethylisoxazole-4-carbonyl Chloride (CAS 31301-45-8), with molecular formula C6H6ClNO2 and molecular weight 159.01 g/mol. IUPAC: 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3,5-Dimethylisoxazole-4-carbonyl Chloride
Property Insights of 3,5-Dimethylisoxazole-4-carbonyl Chloride
The XLogP value of 1.67044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylisoxazole-4-carbonyl Chloride. With a topological polar surface area (TPSA) of 43.1 Ų, 3,5-Dimethylisoxazole-4-carbonyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylisoxazole-4-carbonyl Chloride 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-Dimethylisoxazole-4-carbonyl Chloride?
The CAS number of 3,5-Dimethylisoxazole-4-carbonyl Chloride is 31301-45-8.
What is the molecular formula of 3,5-Dimethylisoxazole-4-carbonyl Chloride?
The molecular formula of 3,5-Dimethylisoxazole-4-carbonyl Chloride is C6H6ClNO2.
What is the molecular weight of 3,5-Dimethylisoxazole-4-carbonyl Chloride?
The molecular weight of 3,5-Dimethylisoxazole-4-carbonyl Chloride is 159.01 g/mol.
Where can I buy 3,5-Dimethylisoxazole-4-carbonyl Chloride?
You can request a quote for 3,5-Dimethylisoxazole-4-carbonyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylisoxazole-4-carbonyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylisoxazole-4-carbonyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.