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RefChem:228792 structure
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RefChem:228792

TL;DR: RefChem:228792 (CAS 77587-78-1) is a chemical compound with molecular formula C22H27IN4O and molecular weight 490.12296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide

Also Known As: 1-(N-(2-Imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)-1-butanol hydriodide, 1-Butanol, 1-(N-(2-imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)-, hydriodide, 4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide

CAS Number
77587-78-1
Molecular Formula
C22H27IN4O
Molecular Weight
490.12296 g/mol
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Technical Specifications

Molecular FormulaC22H27IN4O
Molecular Weight490.12296 g/mol
XLogP-0.7
Topological Polar Surface Area (TPSA)64.9 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors3
Rotatable Bonds7
Exact Mass490.12296 Da
Heavy Atoms28
Complexity505.0
SMILESCCCC([NH+](CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C4=NCCN4)O.[I-]
InChIKeyRDLSOVZCNDYWKO-UHFFFAOYSA-N

Chemical Property Profile of RefChem:228792

XLogP
-0.7
TPSA (Topological Polar Surface Area)
64.9
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
3
Rotatable Bonds
7
Heavy Atoms
28
Complexity
505.0
Exact Mass
490.12296
Monoisotopic Mass
490.12296
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of RefChem:228792

The XLogP value of -0.7 indicates that RefChem:228792 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228792. Following Lipinski's Rule of Five, RefChem:228792 has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of RefChem:228792?

The CAS number of RefChem:228792 is 77587-78-1.

What is the molecular formula of RefChem:228792?

The molecular formula of RefChem:228792 is C22H27IN4O.

What is the molecular weight of RefChem:228792?

The molecular weight of RefChem:228792 is 490.12296 g/mol.

Where can I buy RefChem:228792?

You can request a quote for RefChem:228792 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:228792?

Yes, CoreyChem provides custom synthesis services for RefChem:228792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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