N-仲戊基邻苯二甲酰亚胺
TL;DR: N-仲戊基邻苯二甲酰亚胺 (CAS 106270-08-0) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-仲戊基邻苯二甲酰亚胺
2-pentan-2-ylisoindole-1,3-dione
Also Known As: N-sec-Pentylphthalimide, N-1-Methylbutyl phthalimide, 2-pentan-2-ylisoindole-1,3-dione, 2-(Pentan-2-yl)isoindoline-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-sec-pentyl-
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 106270-08-0 |
|---|---|
| SMILES | CCCC(C)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | MEVAQQNEPXNEFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-仲戊基邻苯二甲酰亚胺 (CAS 106270-08-0), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 2-pentan-2-ylisoindole-1,3-dione.
Chemical Property Profile of N-仲戊基邻苯二甲酰亚胺
Property Insights of N-仲戊基邻苯二甲酰亚胺
The XLogP value of 3.0 indicates that N-仲戊基邻苯二甲酰亚胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, N-仲戊基邻苯二甲酰亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-仲戊基邻苯二甲酰亚胺 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 N-仲戊基邻苯二甲酰亚胺?
The CAS number of N-仲戊基邻苯二甲酰亚胺 is 106270-08-0.
What is the molecular formula of N-仲戊基邻苯二甲酰亚胺?
The molecular formula of N-仲戊基邻苯二甲酰亚胺 is C13H15NO2.
What is the molecular weight of N-仲戊基邻苯二甲酰亚胺?
The molecular weight of N-仲戊基邻苯二甲酰亚胺 is 217.11 g/mol.
Where can I buy N-仲戊基邻苯二甲酰亚胺?
You can request a quote for N-仲戊基邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-仲戊基邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for N-仲戊基邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.