Ecopladib
TL;DR: Ecopladib (CAS 381683-92-7) is a chemical compound with molecular formula C39H33Cl3N2O5S and molecular weight 746.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
Also Known As: Ecopladib, ECOPLADIBUM, Ecopladib [USAN], Ecopladib [USAN:INN], ECOPLADIB [INN]
| Molecular Formula | C39H33Cl3N2O5S |
|---|---|
| Molecular Weight | 746.12 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 746.11755 |
| Heavy Atoms | 50 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 381683-92-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl)CCOC6=CC=C(C=C6)C(=O)O |
| InChIKey | FMMCHWHNSUBYAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ecopladib (CAS 381683-92-7), with molecular formula C39H33Cl3N2O5S and molecular weight 746.12 g/mol. IUPAC: 4-[2-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid.
Chemical Property Profile of Ecopladib
Property Insights of Ecopladib
The XLogP value of 9.5 indicates that Ecopladib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecopladib. Following Lipinski's Rule of Five, Ecopladib has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ecopladib?
The CAS number of Ecopladib is 381683-92-7.
What is the molecular formula of Ecopladib?
The molecular formula of Ecopladib is C39H33Cl3N2O5S.
What is the molecular weight of Ecopladib?
The molecular weight of Ecopladib is 746.12 g/mol.
Where can I buy Ecopladib?
You can request a quote for Ecopladib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecopladib?
Yes, KEHONG BIO provides custom synthesis services for Ecopladib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.