5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane
TL;DR: 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane (CAS 4972-16-1) is a chemical compound with molecular formula C12H13Br2NO4 and molecular weight 392.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane
Also Known As: BAS 00215903, 5,5-bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane, 5,5-Bis-bromomethyl-2-(4-nitro-phenyl)-[1,3]dioxane
| Molecular Formula | C12H13Br2NO4 |
|---|---|
| Molecular Weight | 392.92 g/mol |
| LogP | 3.4164 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.92114 |
| Heavy Atoms | 19 |
| Complexity | 437.54755 |
Chemical Identifiers
| CAS Number | 4972-16-1 |
|---|---|
| SMILES | C1C(COC(O1)C2=CC=C(C=C2)[N+](=O)[O-])(CBr)CBr |
Product Overview
5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane (CAS 4972-16-1), with molecular formula C12H13Br2NO4 and molecular weight 392.92 g/mol. IUPAC: 5,5-bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane.
Chemical Property Profile of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane
Property Insights of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane
The XLogP value of 3.4164 indicates that 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane. Following Lipinski's Rule of Five, 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane has 0 hydrogen bond donor(s) and 4 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 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane?
The CAS number of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane is 4972-16-1.
What is the molecular formula of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane?
The molecular formula of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane is C12H13Br2NO4.
What is the molecular weight of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane?
The molecular weight of 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane is 392.92 g/mol.
Where can I buy 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane?
You can request a quote for 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Bis(bromomethyl)-2-(4-nitrophenyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.