3-Methyl-5-phenylisoxazole-4-carbonyl chloride
TL;DR: 3-Methyl-5-phenylisoxazole-4-carbonyl chloride (CAS 91182-77-3) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-phenyl-1,2-oxazole-4-carbonyl chloride
Also Known As: 3-METHYL-5-PHENYL-4-ISOXAZOLECARBONYL CHLORIDE, 3-Methyl-5-phenylisoxazole-4-carbonyl chloride, 3-methyl-5-phenyl-1,2-oxazole-4-carbonyl chloride, BUTTPARK 95\50-97, 4-Isoxazolecarbonylchloride, 3-methyl-5-phenyl-
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 3.02902 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 490.54395 |
Chemical Identifiers
| CAS Number | 91182-77-3 |
|---|---|
| SMILES | CC1=NOC(=C1C(=O)Cl)C2=CC=CC=C2 |
Product Overview
3-Methyl-5-phenylisoxazole-4-carbonyl chloride (CAS 91182-77-3), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 3-methyl-5-phenyl-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride
Property Insights of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride
The XLogP value of 3.02902 indicates that 3-Methyl-5-phenylisoxazole-4-carbonyl chloride 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-Methyl-5-phenylisoxazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-phenylisoxazole-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-Methyl-5-phenylisoxazole-4-carbonyl chloride?
The CAS number of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride is 91182-77-3.
What is the molecular formula of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride?
The molecular formula of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride is C11H8ClNO2.
What is the molecular weight of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride?
The molecular weight of 3-Methyl-5-phenylisoxazole-4-carbonyl chloride is 221.02 g/mol.
Where can I buy 3-Methyl-5-phenylisoxazole-4-carbonyl chloride?
You can request a quote for 3-Methyl-5-phenylisoxazole-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-phenylisoxazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-phenylisoxazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.