4-Phenyl-1,3-dioxane-5-carboxylic acid
TL;DR: 4-Phenyl-1,3-dioxane-5-carboxylic acid (CAS 92057-56-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,3-dioxane-5-carboxylic acid
Also Known As: 4-phenyl-1,3-dioxane-5-carboxylic acid
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 92057-56-2 |
|---|---|
| SMILES | C1C(C(OCO1)C2=CC=CC=C2)C(=O)O |
| InChIKey | QGAFNKUBBZILNP-UHFFFAOYSA-N |
Product Overview
4-Phenyl-1,3-dioxane-5-carboxylic acid (CAS 92057-56-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 4-phenyl-1,3-dioxane-5-carboxylic acid.
Chemical Property Profile of 4-Phenyl-1,3-dioxane-5-carboxylic acid
Property Insights of 4-Phenyl-1,3-dioxane-5-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1,3-dioxane-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 4-Phenyl-1,3-dioxane-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1,3-dioxane-5-carboxylic acid has 1 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 4-Phenyl-1,3-dioxane-5-carboxylic acid?
The CAS number of 4-Phenyl-1,3-dioxane-5-carboxylic acid is 92057-56-2.
What is the molecular formula of 4-Phenyl-1,3-dioxane-5-carboxylic acid?
The molecular formula of 4-Phenyl-1,3-dioxane-5-carboxylic acid is C11H12O4.
What is the molecular weight of 4-Phenyl-1,3-dioxane-5-carboxylic acid?
The molecular weight of 4-Phenyl-1,3-dioxane-5-carboxylic acid is 208.07 g/mol.
Where can I buy 4-Phenyl-1,3-dioxane-5-carboxylic acid?
You can request a quote for 4-Phenyl-1,3-dioxane-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1,3-dioxane-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,3-dioxane-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.