RefChem:228791
TL;DR: RefChem:228791 (CAS 77587-86-1) is a chemical compound with molecular formula C23H29IN4O2 and molecular weight 520.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide
Also Known As: 1-Butanol, 1-(N-(2-imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide, 4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide, 1-BUTANOL, 1-(N-(2-IMIDAZOLIN-2-YL)-N-(2-(p-METHOXYPHENYL)-3-INDOLYLMETHYL)AMINO, RefChem:228791
| Molecular Formula | C23H29IN4O2 |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | -0.69 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.13354 |
| Heavy Atoms | 30 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 77587-86-1 |
|---|---|
| SMILES | CCCC([NH+](CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=NCCN4)O.[I-] |
| InChIKey | GNHRXEMHAXDENU-UHFFFAOYSA-N |
Product Overview
RefChem:228791 (CAS 77587-86-1), with molecular formula C23H29IN4O2 and molecular weight 520.13 g/mol. IUPAC: 4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide.
Chemical Property Profile of RefChem:228791
Property Insights of RefChem:228791
The XLogP value of -0.69 indicates that RefChem:228791 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228791. Following Lipinski's Rule of Five, RefChem:228791 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228791?
The CAS number of RefChem:228791 is 77587-86-1.
What is the molecular formula of RefChem:228791?
The molecular formula of RefChem:228791 is C23H29IN4O2.
What is the molecular weight of RefChem:228791?
The molecular weight of RefChem:228791 is 520.13 g/mol.
Where can I buy RefChem:228791?
You can request a quote for RefChem:228791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.