Piperonal propyleneglycol acetal
TL;DR: Piperonal propyleneglycol acetal (CAS 61683-99-6) 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.
5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
Also Known As: Piperonal propyleneglycol acetal, 5-(4-Methyl-1,3-dioxolan-2-yl)benzo[d][1,3]dioxole, 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole, Heliotropin PG acetal, piperonal propylene glycol acetal
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 61683-99-6 |
|---|---|
| SMILES | CC1COC(O1)C2=CC3=C(C=C2)OCO3 |
| InChIKey | HXNSADTWQWLFCB-UHFFFAOYSA-N |
Product Overview
Piperonal propyleneglycol acetal (CAS 61683-99-6), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole.
Chemical Property Profile of Piperonal propyleneglycol acetal
Property Insights of Piperonal propyleneglycol acetal
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonal propyleneglycol acetal. With a topological polar surface area (TPSA) of 36.9 Ų, Piperonal propyleneglycol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperonal propyleneglycol acetal 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 Piperonal propyleneglycol acetal?
The CAS number of Piperonal propyleneglycol acetal is 61683-99-6.
What is the molecular formula of Piperonal propyleneglycol acetal?
The molecular formula of Piperonal propyleneglycol acetal is C11H12O4.
What is the molecular weight of Piperonal propyleneglycol acetal?
The molecular weight of Piperonal propyleneglycol acetal is 208.07 g/mol.
Where can I buy Piperonal propyleneglycol acetal?
You can request a quote for Piperonal propyleneglycol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonal propyleneglycol acetal?
Yes, KEHONG BIO provides custom synthesis services for Piperonal propyleneglycol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.