5-Methylisoxazole-3-carbonyl chloride
TL;DR: 5-Methylisoxazole-3-carbonyl chloride (CAS 39499-34-8) is a chemical compound with molecular formula C5H4ClNO2 and molecular weight 144.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2-oxazole-3-carbonyl chloride
Also Known As: 5-Methylisoxazole-3-carbonyl chloride, 5-methyl-1,2-oxazole-3-carbonyl chloride, 3-Isoxazolecarbonyl chloride, 5-methyl-, EINECS 254-475-6, 5-methyl-3-isoxazoyl chloride
| Molecular Formula | C5H4ClNO2 |
|---|---|
| Molecular Weight | 144.99 g/mol |
| LogP | 1.36202 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.99306 |
| Heavy Atoms | 9 |
| Complexity | 230.61679 |
Chemical Identifiers
| CAS Number | 39499-34-8 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)Cl |
Product Overview
5-Methylisoxazole-3-carbonyl chloride (CAS 39499-34-8), with molecular formula C5H4ClNO2 and molecular weight 144.99 g/mol. IUPAC: 5-methyl-1,2-oxazole-3-carbonyl chloride.
Chemical Property Profile of 5-Methylisoxazole-3-carbonyl chloride
Property Insights of 5-Methylisoxazole-3-carbonyl chloride
The XLogP value of 1.36202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylisoxazole-3-carbonyl chloride. With a topological polar surface area (TPSA) of 43.1 Ų, 5-Methylisoxazole-3-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylisoxazole-3-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 5-Methylisoxazole-3-carbonyl chloride?
The CAS number of 5-Methylisoxazole-3-carbonyl chloride is 39499-34-8.
What is the molecular formula of 5-Methylisoxazole-3-carbonyl chloride?
The molecular formula of 5-Methylisoxazole-3-carbonyl chloride is C5H4ClNO2.
What is the molecular weight of 5-Methylisoxazole-3-carbonyl chloride?
The molecular weight of 5-Methylisoxazole-3-carbonyl chloride is 144.99 g/mol.
Where can I buy 5-Methylisoxazole-3-carbonyl chloride?
You can request a quote for 5-Methylisoxazole-3-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylisoxazole-3-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylisoxazole-3-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.