Neobavaisoflavone
TL;DR: Neobavaisoflavone (CAS 41040-76-0) is a chemical compound with molecular formula C16H34I2N2O4 and molecular weight 572.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[[2-methyl-2-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide
Also Known As: Neobavaisoflavone, 1-(triphenylstannyl)-2-propyne, Ammonium, (2-(3-(2-methyl-4-(trimethylammoniomethyl)-2-dioxolanyl)propionyloxy)ethyl)trimethyl-, diiodide, trimethyl-[[2-methyl-2-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide, AMMONIUM, (2-(3-(2-METHYL-4-(TRIMETHYLAMMONIOMETHYL)-2-DIOXOLANYL)PROPIONYLOXY)E
| Molecular Formula | C16H34I2N2O4 |
|---|---|
| Molecular Weight | 572.06 g/mol |
| LogP | -5.14 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 572.0608 |
| Heavy Atoms | 24 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 41040-76-0 |
|---|---|
| SMILES | CC1(OCC(O1)C[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | LIPTUQROXXJQFU-UHFFFAOYSA-L |
Product Overview
Neobavaisoflavone (CAS 41040-76-0), with molecular formula C16H34I2N2O4 and molecular weight 572.06 g/mol. IUPAC: trimethyl-[[2-methyl-2-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide.
Chemical Property Profile of Neobavaisoflavone
Property Insights of Neobavaisoflavone
The XLogP value of -5.14 indicates that Neobavaisoflavone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, Neobavaisoflavone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neobavaisoflavone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neobavaisoflavone?
The CAS number of Neobavaisoflavone is 41040-76-0.
What is the molecular formula of Neobavaisoflavone?
The molecular formula of Neobavaisoflavone is C16H34I2N2O4.
What is the molecular weight of Neobavaisoflavone?
The molecular weight of Neobavaisoflavone is 572.06 g/mol.
Where can I buy Neobavaisoflavone?
You can request a quote for Neobavaisoflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neobavaisoflavone?
Yes, KEHONG BIO provides custom synthesis services for Neobavaisoflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.