![2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one structure](/static/products/4780/478040-41-4.webp)
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
TL;DR: 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one (CAS 478040-41-4) is a chemical compound with molecular formula C19H27N3O2 and molecular weight 329.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
Also Known As: 3R-0602, 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one, 2-{3-methyl-1-[(4-methylpiperazino)carbonyl]butyl}-1-isoindolinone, 2-{3-methyl-1-[(4-methylpiperazin-1-yl)carbonyl]butyl}isoindolin-1-one, 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2,3-dihydro-1H-isoindol-1-one
| Molecular Formula | C19H27N3O2 |
|---|---|
| Molecular Weight | 329.21 g/mol |
| LogP | 1.8311 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.21033 |
| Heavy Atoms | 24 |
| Complexity | 620.79285 |
Chemical Identifiers
| CAS Number | 478040-41-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)N1CCN(CC1)C)N2CC3=CC=CC=C3C2=O |
Product Overview
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one (CAS 478040-41-4), with molecular formula C19H27N3O2 and molecular weight 329.21 g/mol. IUPAC: 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one.
Chemical Property Profile of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
Property Insights of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
The XLogP value of 1.8311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one. With a topological polar surface area (TPSA) of 43.86 Ų, 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one 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-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one?
The CAS number of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one is 478040-41-4.
What is the molecular formula of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one?
The molecular formula of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one is C19H27N3O2.
What is the molecular weight of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one?
The molecular weight of 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one is 329.21 g/mol.
Where can I buy 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one?
You can request a quote for 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.