乙咪多啉
TL;DR: 乙咪多啉 (CAS 21590-92-1) is a chemical compound with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙咪多啉
2-ethyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one
Also Known As: etomidoline, Amidoline, Smedolin, Nonspa, Etomidolina
| Molecular Formula | C23H29N3O2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.22598 |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 21590-92-1 |
|---|---|
| SMILES | CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4 |
| InChIKey | ITIONVBQFUNVJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙咪多啉 (CAS 21590-92-1), with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol. IUPAC: 2-ethyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one.
Chemical Property Profile of 乙咪多啉
Property Insights of 乙咪多啉
The XLogP value of 4.0 indicates that Etomidoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 乙咪多啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etomidoline has 1 hydrogen bond donor(s) and 4 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 Etomidoline?
The CAS number of Etomidoline is 21590-92-1.
What is the molecular formula of Etomidoline?
The molecular formula of Etomidoline is C23H29N3O2.
What is the molecular weight of Etomidoline?
The molecular weight of Etomidoline is 379.23 g/mol.
Where can I buy Etomidoline?
You can request a quote for Etomidoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etomidoline?
Yes, KEHONG BIO provides custom synthesis services for Etomidoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.