Ecopipam
TL;DR: Ecopipam (CAS 112108-01-7) is a chemical compound with molecular formula C19H20ClNO and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
Also Known As: Ecopipam, Ecopipam [INN], ecopipamum, Sch 39166, ECOPIPAM [WHO-DD]
| Molecular Formula | C19H20ClNO |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.12335 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 112108-01-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl |
| InChIKey | DMJWENQHWZZWDF-PKOBYXMFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ecopipam (CAS 112108-01-7), with molecular formula C19H20ClNO and molecular weight 313.12 g/mol. IUPAC: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol.
Chemical Property Profile of Ecopipam
Property Insights of Ecopipam
The XLogP value of 4.4 indicates that Ecopipam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Ecopipam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ecopipam has 1 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 Ecopipam?
The CAS number of Ecopipam is 112108-01-7.
What is the molecular formula of Ecopipam?
The molecular formula of Ecopipam is C19H20ClNO.
What is the molecular weight of Ecopipam?
The molecular weight of Ecopipam is 313.12 g/mol.
Where can I buy Ecopipam?
You can request a quote for Ecopipam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecopipam?
Yes, KEHONG BIO provides custom synthesis services for Ecopipam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.