Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide
TL;DR: Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide (CAS 64070-88-8) is a chemical compound with molecular formula C21H29IN2O and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamido-4,4-diphenylbutan-2-yl)-trimethylazanium iodide
Also Known As: BL 401, 4-Acetamido-4,4-diphenyl-2-butyltrimethyl ammonium iodide, AMMONIUM, 4-ACETAMIDO-4,4-DIPHENYL-2-BUTYLTRIMETHYL-, IODIDE, (4-acetamido-4,4-diphenylbutan-2-yl)-trimethylazanium iodide, Benzenepropanaminium, .gamma.-(acetylamino)-N,N,N,.alpha.-tetramethyl-.gamma.-phenyl-, iodide
| Molecular Formula | C21H29IN2O |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 0.56 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.13245 |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 64070-88-8 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)C)[N+](C)(C)C.[I-] |
| InChIKey | YIWXBCXYQCEEPG-UHFFFAOYSA-N |
Product Overview
Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide (CAS 64070-88-8), with molecular formula C21H29IN2O and molecular weight 452.13 g/mol. IUPAC: (4-acetamido-4,4-diphenylbutan-2-yl)-trimethylazanium iodide.
Chemical Property Profile of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide
Property Insights of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide. With a topological polar surface area (TPSA) of 29.1 Ų, Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide 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 Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide?
The CAS number of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide is 64070-88-8.
What is the molecular formula of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide?
The molecular formula of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide is C21H29IN2O.
What is the molecular weight of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide?
The molecular weight of Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide is 452.13 g/mol.
Where can I buy Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide?
You can request a quote for Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.