5-Methyl-3-phenylisoxazole-4-carbonyl chloride
TL;DR: 5-Methyl-3-phenylisoxazole-4-carbonyl chloride (CAS 16883-16-2) 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.
5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
Also Known As: 5-Methyl-3-phenylisoxazole-4-carbonyl chloride, Idarubicin Impurity 3, PMICC, 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride, 3-Phenyl-5-methylisoxazole-4-carbonyl chloride
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.9 |
| 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 | 241.0 |
Chemical Identifiers
| CAS Number | 16883-16-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl |
| InChIKey | HXEVQMXCHCDPSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-3-phenylisoxazole-4-carbonyl chloride (CAS 16883-16-2), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride
Property Insights of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-phenylisoxazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 43.1 Ų, 5-Methyl-3-phenylisoxazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-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 5-Methyl-3-phenylisoxazole-4-carbonyl chloride?
The CAS number of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride is 16883-16-2.
What is the molecular formula of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride?
The molecular formula of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride is C11H8ClNO2.
What is the molecular weight of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride?
The molecular weight of 5-Methyl-3-phenylisoxazole-4-carbonyl chloride is 221.02 g/mol.
Where can I buy 5-Methyl-3-phenylisoxazole-4-carbonyl chloride?
You can request a quote for 5-Methyl-3-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 5-Methyl-3-phenylisoxazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-phenylisoxazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.