Etolotifen
TL;DR: Etolotifen (CAS 82140-22-5) is a chemical compound with molecular formula C24H29NO4S and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Also Known As: Etolotifen, etolotifene, etolotifeno, Etolotifen [INN], etolotifenum
| Molecular Formula | C24H29NO4S |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.18173 |
| Heavy Atoms | 30 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 82140-22-5 |
|---|---|
| SMILES | C1CN(CCC1=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CCOCCOCCO |
| InChIKey | BPEQXNIRIPLFRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etolotifen (CAS 82140-22-5), with molecular formula C24H29NO4S and molecular weight 427.18 g/mol. IUPAC: 2-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one.
Chemical Property Profile of Etolotifen
Property Insights of Etolotifen
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etolotifen. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Etolotifen. Following Lipinski's Rule of Five, Etolotifen has 1 hydrogen bond donor(s) and 6 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 Etolotifen?
The CAS number of Etolotifen is 82140-22-5.
What is the molecular formula of Etolotifen?
The molecular formula of Etolotifen is C24H29NO4S.
What is the molecular weight of Etolotifen?
The molecular weight of Etolotifen is 427.18 g/mol.
Where can I buy Etolotifen?
You can request a quote for Etolotifen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etolotifen?
Yes, KEHONG BIO provides custom synthesis services for Etolotifen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.