Vanillin propylene glycol acetal
TL;DR: Vanillin propylene glycol acetal (CAS 68527-74-2) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
Also Known As: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, Vanillin propylene glycol acetal, Vanillin propyleneglycol acetal, 95% contain isomer, FEMA NO. 3905
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| Boiling Point | 154.00 °C. @ 1.00 mm Hg |
| Density | 1.196-1.206 |
| Solubility | Insoluble in water and fat; soluble in triacetin |
| Refractive Index | 1.533-1.543 |
Chemical Identifiers
| CAS Number | 68527-74-2 |
|---|---|
| SMILES | CC1COC(O1)C2=CC(=C(C=C2)O)OC |
| InChIKey | RFGCVZIIIHRESZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillin propylene glycol acetal (CAS 68527-74-2), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.
Chemical Property Profile of Vanillin propylene glycol acetal
Property Insights of Vanillin propylene glycol acetal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillin propylene glycol acetal. With a topological polar surface area (TPSA) of 47.9 Ų, Vanillin propylene glycol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vanillin propylene glycol acetal 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 Vanillin propylene glycol acetal?
The CAS number of Vanillin propylene glycol acetal is 68527-74-2.
What is the molecular formula of Vanillin propylene glycol acetal?
The molecular formula of Vanillin propylene glycol acetal is C11H14O4.
What is the molecular weight of Vanillin propylene glycol acetal?
The molecular weight of Vanillin propylene glycol acetal is 210.09 g/mol.
Where can I buy Vanillin propylene glycol acetal?
You can request a quote for Vanillin propylene glycol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillin propylene glycol acetal?
Yes, KEHONG BIO provides custom synthesis services for Vanillin propylene glycol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.