3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride
TL;DR: 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride (CAS 306936-71-0) is a chemical compound with molecular formula C9H7ClN2O3 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbonyl chloride
Also Known As: BUTTPARK 43\57-65, 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride, 3-Methyl-5-(5-Methylisoxazol-3-Yl)Isoxazol-4-Carbonylchloride, 3',5-dimethyl-3,5'-biisoxazole-4'-carbonyl chloride, 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbonyl chloride
| Molecular Formula | C9H7ClN2O3 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.32544 |
| Topological Polar Surface Area | 69.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.01453 |
| Heavy Atoms | 15 |
| Complexity | 515.15967 |
Chemical Identifiers
| CAS Number | 306936-71-0 |
|---|---|
| SMILES | CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)Cl |
Product Overview
3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride (CAS 306936-71-0), with molecular formula C9H7ClN2O3 and molecular weight 226.01 g/mol. IUPAC: 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride
Property Insights of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride
The XLogP value of 2.32544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride. The TPSA of 69.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride. Following Lipinski's Rule of Five, 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride has 0 hydrogen bond donor(s) and 5 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-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride?
The CAS number of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride is 306936-71-0.
What is the molecular formula of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride?
The molecular formula of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride is C9H7ClN2O3.
What is the molecular weight of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride?
The molecular weight of 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride is 226.01 g/mol.
Where can I buy 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride?
You can request a quote for 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-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-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.