ICI 204,448 hydrochloride
TL;DR: ICI 204,448 hydrochloride (CAS 121264-04-8) is a chemical compound with molecular formula C23H27Cl3N2O4 and molecular weight 500.10364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid;hydrochloride
Also Known As: ICI 204,448 hydrochloride, ICI-204,448 hydrochloride, Ici 204448, I122_SIGMA, Tox21_500704
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H27Cl3N2O4 |
| Molecular Weight | 500.10364 g/mol |
| XLogP | 4.7166 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.10364 Da |
| Heavy Atoms | 32 |
| Complexity | 602.0 |
| SMILES | CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl |
| InChIKey | FNDGLVOYAQNQPE-UHFFFAOYSA-N |
Chemical Property Profile of ICI 204,448 hydrochloride
Property Insights of ICI 204,448 hydrochloride
The XLogP value of 4.7166 indicates that ICI 204,448 hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ICI 204,448 hydrochloride. Following Lipinski's Rule of Five, ICI 204,448 hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ICI 204,448 hydrochloride?
The CAS number of ICI 204,448 hydrochloride is 121264-04-8.
What is the molecular formula of ICI 204,448 hydrochloride?
The molecular formula of ICI 204,448 hydrochloride is C23H27Cl3N2O4.
What is the molecular weight of ICI 204,448 hydrochloride?
The molecular weight of ICI 204,448 hydrochloride is 500.10364 g/mol.
Where can I buy ICI 204,448 hydrochloride?
You can request a quote for ICI 204,448 hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ICI 204,448 hydrochloride?
Yes, CoreyChem provides custom synthesis services for ICI 204,448 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.