2-heptyl-1H-isoindole-1,3(2H)-dione
TL;DR: 2-heptyl-1H-isoindole-1,3(2H)-dione (CAS 71510-40-2) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylisoindole-1,3-dione
Also Known As: 2-heptylisoindole-1,3-dione, 2-heptyl-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 71510-40-2 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | BJFUIMIMJILKSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-heptyl-1H-isoindole-1,3(2H)-dione (CAS 71510-40-2), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: 2-heptylisoindole-1,3-dione.
Chemical Property Profile of 2-heptyl-1H-isoindole-1,3(2H)-dione
Property Insights of 2-heptyl-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.4 indicates that 2-heptyl-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2-heptyl-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-heptyl-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 2 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-heptyl-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-heptyl-1H-isoindole-1,3(2H)-dione is 71510-40-2.
What is the molecular formula of 2-heptyl-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-heptyl-1H-isoindole-1,3(2H)-dione is C15H19NO2.
What is the molecular weight of 2-heptyl-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-heptyl-1H-isoindole-1,3(2H)-dione is 245.14 g/mol.
Where can I buy 2-heptyl-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-heptyl-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-heptyl-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-heptyl-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.