2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)
TL;DR: 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) (CAS 111472-08-3) is a chemical compound with molecular formula C19H25IN2O and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-4-oxo-3,3-diphenylbutyl)-trimethylazanium iodide
Also Known As: (3-Carbamoyl-3,3-diphenylpropyl)trimethylammonium iodide, (4-amino-4-oxo-3,3-diphenylbutyl)-trimethylazanium iodide, (4-amino-4-oxo-3,3-diphenylbutyl)-trimethylazanium, AMMONIUM, (3-CARBAMOYL-3,3-DIPHENYLPROPYL)TRIMETHYL-, IODIDE, 4-amino-n,n,n-trimethyl-4-oxo-3,3-diphenylbutan-1-aminium iodide
| Molecular Formula | C19H25IN2O |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10117 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 111472-08-3 |
|---|---|
| SMILES | C[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N.[I-] |
| InChIKey | XDBZHNUMLBQSGI-UHFFFAOYSA-N |
Product Overview
2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) (CAS 111472-08-3), with molecular formula C19H25IN2O and molecular weight 424.10 g/mol. IUPAC: (4-amino-4-oxo-3,3-diphenylbutyl)-trimethylazanium iodide.
Chemical Property Profile of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)
Property Insights of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)
The XLogP value of -0.44 indicates that 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) has 1 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 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)?
The CAS number of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) is 111472-08-3.
What is the molecular formula of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)?
The molecular formula of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) is C19H25IN2O.
What is the molecular weight of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)?
The molecular weight of 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) is 424.10 g/mol.
Where can I buy 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)?
You can request a quote for 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenyl-4-(trimethylazaniumyl)butanimidate--hydrogen iodide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.