3-(4-Methylphenyl)-5(4H)-isoxazolone
TL;DR: 3-(4-Methylphenyl)-5(4H)-isoxazolone (CAS 25755-82-2) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4H-1,2-oxazol-5-one
Also Known As: 3-(4-Methylphenyl)-5(4H)-isoxazolone, 3-(p-tolyl)isoxazol-5(4H)-one, 3-(4-methylphenyl)-4H-1,2-oxazol-5-one, 3-(p-Tolyl)-5(4H)-isoxazolone, 3-(4-Methylphenyl)isoxazol-5(4H)-one
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 25755-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=O)C2 |
| InChIKey | IADHZJJQULYQGB-UHFFFAOYSA-N |
Product Overview
3-(4-Methylphenyl)-5(4H)-isoxazolone (CAS 25755-82-2), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 3-(4-methylphenyl)-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3-(4-Methylphenyl)-5(4H)-isoxazolone
Property Insights of 3-(4-Methylphenyl)-5(4H)-isoxazolone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)-5(4H)-isoxazolone. With a topological polar surface area (TPSA) of 38.7 Ų, 3-(4-Methylphenyl)-5(4H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-5(4H)-isoxazolone 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-(4-Methylphenyl)-5(4H)-isoxazolone?
The CAS number of 3-(4-Methylphenyl)-5(4H)-isoxazolone is 25755-82-2.
What is the molecular formula of 3-(4-Methylphenyl)-5(4H)-isoxazolone?
The molecular formula of 3-(4-Methylphenyl)-5(4H)-isoxazolone is C10H9NO2.
What is the molecular weight of 3-(4-Methylphenyl)-5(4H)-isoxazolone?
The molecular weight of 3-(4-Methylphenyl)-5(4H)-isoxazolone is 175.06 g/mol.
Where can I buy 3-(4-Methylphenyl)-5(4H)-isoxazolone?
You can request a quote for 3-(4-Methylphenyl)-5(4H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.