(2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane
TL;DR: (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane (CAS 94340-00-8) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane
Also Known As: 3-Homoadamantanol, 4-(bromomethyl)-2-phenyl-1,3-dioxane, (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane, (2S,4S)-4-Bromomethyl-2-phenyl-1,3-dioxane, - -4-BROMOMETHYL-2-PHENYL-1,3-DIOXANE
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 2.8856 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 275.87582 |
Chemical Identifiers
| CAS Number | 94340-00-8 |
|---|---|
| SMILES | C1CO[C@@H](O[C@@H]1CBr)C2=CC=CC=C2 |
Product Overview
(2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane (CAS 94340-00-8), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane.
Chemical Property Profile of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane
Property Insights of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane
The XLogP value of 2.8856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.46 Ų, (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane has 0 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 (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane?
The CAS number of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane is 94340-00-8.
What is the molecular formula of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane?
The molecular formula of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane is C11H13BrO2.
What is the molecular weight of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane?
The molecular weight of (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane is 256.01 g/mol.
Where can I buy (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane?
You can request a quote for (2S,4S)-4-(bromomethyl)-2-phenyl-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 (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for (2S,4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.