ICI-199,441
TL;DR: ICI-199,441 (CAS 116508-24-8) is a chemical compound with molecular formula C21H24Cl2N2O and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
Also Known As: ICI-199,441, Ici 199,441, GR-199,441, ligand 1 [PMID: 8893842], 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
| Molecular Formula | C21H24Cl2N2O |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 4.8314 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.12656 |
| Heavy Atoms | 26 |
| Complexity | 744.9312 |
Chemical Identifiers
| CAS Number | 116508-24-8 |
|---|---|
| SMILES | CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
ICI-199,441 (CAS 116508-24-8), with molecular formula C21H24Cl2N2O and molecular weight 390.13 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
Chemical Property Profile of ICI-199,441
Property Insights of ICI-199,441
The XLogP value of 4.8314 indicates that ICI-199,441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, ICI-199,441 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICI-199,441 has 0 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 ICI-199,441?
The CAS number of ICI-199,441 is 116508-24-8.
What is the molecular formula of ICI-199,441?
The molecular formula of ICI-199,441 is C21H24Cl2N2O.
What is the molecular weight of ICI-199,441?
The molecular weight of ICI-199,441 is 390.13 g/mol.
Where can I buy ICI-199,441?
You can request a quote for ICI-199,441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICI-199,441?
Yes, KEHONG BIO provides custom synthesis services for ICI-199,441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.