3-(4-methoxyphenyl)isoxazol-5(4H)-one
TL;DR: 3-(4-methoxyphenyl)isoxazol-5(4H)-one (CAS 31709-47-4) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4H-1,2-oxazol-5-one
Also Known As: 3-(4-methoxyphenyl)isoxazol-5(4H)-one, 3-(4-methoxyphenyl)-4H-1,2-oxazol-5-one, 3-p-methoxyphenyl-5-isoxazolone, 5(4H)-Isoxazolone,3-(4-methoxyphenyl)-, 5(4H)-Isoxazolone, 3-(4-methoxyphenyl)-
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 31709-47-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(=O)C2 |
| InChIKey | QTBSYAAYOGYCLP-UHFFFAOYSA-N |
Product Overview
3-(4-methoxyphenyl)isoxazol-5(4H)-one (CAS 31709-47-4), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 3-(4-methoxyphenyl)-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3-(4-methoxyphenyl)isoxazol-5(4H)-one
Property Insights of 3-(4-methoxyphenyl)isoxazol-5(4H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methoxyphenyl)isoxazol-5(4H)-one. With a topological polar surface area (TPSA) of 47.9 Ų, 3-(4-methoxyphenyl)isoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)isoxazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 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-methoxyphenyl)isoxazol-5(4H)-one?
The CAS number of 3-(4-methoxyphenyl)isoxazol-5(4H)-one is 31709-47-4.
What is the molecular formula of 3-(4-methoxyphenyl)isoxazol-5(4H)-one?
The molecular formula of 3-(4-methoxyphenyl)isoxazol-5(4H)-one is C10H9NO3.
What is the molecular weight of 3-(4-methoxyphenyl)isoxazol-5(4H)-one?
The molecular weight of 3-(4-methoxyphenyl)isoxazol-5(4H)-one is 191.06 g/mol.
Where can I buy 3-(4-methoxyphenyl)isoxazol-5(4H)-one?
You can request a quote for 3-(4-methoxyphenyl)isoxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)isoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)isoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.