5-Benzoyl-3-methylisoxazole
TL;DR: 5-Benzoyl-3-methylisoxazole (CAS 31301-36-7) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-1,2-oxazol-5-yl)-phenylmethanone
Also Known As: 5-benzoyl-3-methylisoxazole, 3-methyl-5-benzoylisoxazole, Ketone,3-methyl-5-isoxazolyl phenyl, (3-methyl-1,2-oxazol-5-yl)-phenylmethanone, (3-methylisoxazol-5-yl)(phenyl)methanone
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 31301-36-7 |
|---|---|
| SMILES | CC1=NOC(=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | JKEWPPCTIBKQGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzoyl-3-methylisoxazole (CAS 31301-36-7), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: (3-methyl-1,2-oxazol-5-yl)-phenylmethanone.
Chemical Property Profile of 5-Benzoyl-3-methylisoxazole
Property Insights of 5-Benzoyl-3-methylisoxazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzoyl-3-methylisoxazole. With a topological polar surface area (TPSA) of 43.1 Ų, 5-Benzoyl-3-methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzoyl-3-methylisoxazole 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-Benzoyl-3-methylisoxazole?
The CAS number of 5-Benzoyl-3-methylisoxazole is 31301-36-7.
What is the molecular formula of 5-Benzoyl-3-methylisoxazole?
The molecular formula of 5-Benzoyl-3-methylisoxazole is C11H9NO2.
What is the molecular weight of 5-Benzoyl-3-methylisoxazole?
The molecular weight of 5-Benzoyl-3-methylisoxazole is 187.06 g/mol.
Where can I buy 5-Benzoyl-3-methylisoxazole?
You can request a quote for 5-Benzoyl-3-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoyl-3-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoyl-3-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.