依西太尔
TL;DR: 依西太尔 (CAS 98123-83-2) is a chemical compound with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依西太尔
2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
Also Known As: Epsiprantel, Cestex, Epsiprantelum, Epsiprantel, (+)-, Epsiprantel, (-)-
| Molecular Formula | C20H26N2O2 |
|---|---|
| Molecular Weight | 326.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.19943 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 98123-83-2 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCCN3C(=O)C2 |
| InChIKey | LGUDKOQUWIHXOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依西太尔 (CAS 98123-83-2), with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol. IUPAC: 2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.
Chemical Property Profile of 依西太尔
Property Insights of 依西太尔
The XLogP value of 3.0 indicates that 依西太尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 依西太尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依西太尔 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 依西太尔?
The CAS number of 依西太尔 is 98123-83-2.
What is the molecular formula of 依西太尔?
The molecular formula of 依西太尔 is C20H26N2O2.
What is the molecular weight of 依西太尔?
The molecular weight of 依西太尔 is 326.20 g/mol.
Where can I buy 依西太尔?
You can request a quote for 依西太尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依西太尔?
Yes, KEHONG BIO provides custom synthesis services for 依西太尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.