2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione
TL;DR: 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione (CAS 91377-59-2) is a chemical compound with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
Also Known As: 2-(5-methylisoxazol-3-yl)isoindoline-1,3-dione, 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione, N-(5-Methyl-3-isoxazolyl)phthalimide, N-(5-Methylisoxazole-3-yl)phthalimide, BAS 04379962
| Molecular Formula | C12H8N2O3 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.0535 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 91377-59-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | MEPXCSBNWRSVLX-UHFFFAOYSA-N |
Product Overview
2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione (CAS 91377-59-2), with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol. IUPAC: 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione
Property Insights of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione 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 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione?
The CAS number of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione is 91377-59-2.
What is the molecular formula of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione?
The molecular formula of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione is C12H8N2O3.
What is the molecular weight of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione?
The molecular weight of 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione is 228.05 g/mol.
Where can I buy 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione?
You can request a quote for 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methylisoxazol-3-yl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.