2-Pentyl-3-imino-1-oxoisoindoline
TL;DR: 2-Pentyl-3-imino-1-oxoisoindoline (CAS 108278-37-1) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-imino-2-pentylisoindol-1-one
Also Known As: 2-Pentyl-3-imino-1-oxoisoindoline, 3-imino-2-pentylisoindol-1-one, 1H-Isoindol-1-one, 2,3-dihydro-3-imino-2-pentyl-, 3-Imino-2-pentyl-2,3-dihydro-1H-isoindol-1-one
Technical Specifications
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 44.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | CCCCCN1C(=N)C2=CC=CC=C2C1=O |
| InChIKey | CAJNHUIMXHDBKP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Pentyl-3-imino-1-oxoisoindoline
Property Insights of 2-Pentyl-3-imino-1-oxoisoindoline
The XLogP value of 3.4 indicates that 2-Pentyl-3-imino-1-oxoisoindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.2 Ų, 2-Pentyl-3-imino-1-oxoisoindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl-3-imino-1-oxoisoindoline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Pentyl-3-imino-1-oxoisoindoline?
The CAS number of 2-Pentyl-3-imino-1-oxoisoindoline is 108278-37-1.
What is the molecular formula of 2-Pentyl-3-imino-1-oxoisoindoline?
The molecular formula of 2-Pentyl-3-imino-1-oxoisoindoline is C13H16N2O.
What is the molecular weight of 2-Pentyl-3-imino-1-oxoisoindoline?
The molecular weight of 2-Pentyl-3-imino-1-oxoisoindoline is 216.12627 g/mol.
Where can I buy 2-Pentyl-3-imino-1-oxoisoindoline?
You can request a quote for 2-Pentyl-3-imino-1-oxoisoindoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pentyl-3-imino-1-oxoisoindoline?
Yes, CoreyChem provides custom synthesis services for 2-Pentyl-3-imino-1-oxoisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.