ICI-204448 (游离酸)
TL;DR: ICI-204448 (游离酸) (CAS 125190-72-9) is a chemical compound with molecular formula C23H26Cl2N2O4 and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ICI-204448 (游离酸)
2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
Also Known As: Ici 204448, ICI 204,448 hydrochloride, Lopac0_000704, ICI-204448 (free acid), ICI-204,448
| Molecular Formula | C23H26Cl2N2O4 |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.12695 |
| Heavy Atoms | 31 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 125190-72-9 |
|---|---|
| SMILES | CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | JKYJSFISYHSNOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ICI-204448 (游离酸) (CAS 125190-72-9), with molecular formula C23H26Cl2N2O4 and molecular weight 464.13 g/mol. IUPAC: 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid.
Chemical Property Profile of ICI-204448 (游离酸)
Property Insights of ICI-204448 (游离酸)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ICI-204448 (游离酸). The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ICI-204448 (游离酸). Following Lipinski's Rule of Five, ICI-204448 (游离酸) has 1 hydrogen bond donor(s) and 5 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 ICI-204448 (游离酸)?
The CAS number of ICI-204448 (游离酸) is 125190-72-9.
What is the molecular formula of ICI-204448 (游离酸)?
The molecular formula of ICI-204448 (游离酸) is C23H26Cl2N2O4.
What is the molecular weight of ICI-204448 (游离酸)?
The molecular weight of ICI-204448 (游离酸) is 464.13 g/mol.
Where can I buy ICI-204448 (游离酸)?
You can request a quote for ICI-204448 (游离酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICI-204448 (游离酸)?
Yes, KEHONG BIO provides custom synthesis services for ICI-204448 (游离酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.