2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione
TL;DR: 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione (CAS 76367-87-8) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-4-oxohexyl)isoindole-1,3-dione
Also Known As: 2-(5-methyl-4-oxohexyl)isoindole-1,3-dione, 2-Methyl-6-phthalimido-hexan-3-one, 2-(5-Methyl-4-oxohexyl)-1H-isoindole-1,3(2H)-dione, 2-(5-Methyl-4-oxohexyl)-1H-isoindole-1,3(2H)-dione #, RefChem:252951
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 76367-87-8 |
|---|---|
| SMILES | CC(C)C(=O)CCCN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | WPOSFFMDOIEMQF-UHFFFAOYSA-N |
Product Overview
2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione (CAS 76367-87-8), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 2-(5-methyl-4-oxohexyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione
Property Insights of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione 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 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione?
The CAS number of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione is 76367-87-8.
What is the molecular formula of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione?
The molecular formula of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione is C15H17NO3.
What is the molecular weight of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione?
The molecular weight of 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione is 259.12 g/mol.
Where can I buy 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione?
You can request a quote for 2-(5-Methyl-4-oxohexyl)isoindole-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-Methyl-4-oxohexyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.