5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid
TL;DR: 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid (CAS 207850-04-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid
Also Known As: 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, 1,3-Dioxane-5-carboxylic acid, 5-methyl-2-phenyl-, 5-METHYL-2-PHENYL-[1,3]DIOXANE-5-CARBOXYLIC ACID, benzylidene-2,2-bis(oxymethyl)propionic acid, 2-PHENYL-5-METHYL-1,3-DIOXANE-5-CARBOXYLIC ACID
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 207850-04-2 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC=CC=C2)C(=O)O |
| InChIKey | WDSCTZOPHREENN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid (CAS 207850-04-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid.
Chemical Property Profile of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid
Property Insights of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-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 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid?
The CAS number of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid is 207850-04-2.
What is the molecular formula of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid?
The molecular formula of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid is C12H14O4.
What is the molecular weight of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid?
The molecular weight of 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid is 222.09 g/mol.
Where can I buy 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid?
You can request a quote for 5-Methyl-2-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 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.