Phenylacetaldehyde diethyl acetal
TL;DR: Phenylacetaldehyde diethyl acetal (CAS 6314-97-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethoxyethylbenzene
Also Known As: (2,2-Diethoxyethyl)benzene, 2,2-diethoxyethylbenzene, benzene, Phenylacetaldehyde diethyl acetal, Alleglal
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 124.0 |
| Boiling Point | 237.00 to 238.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 6314-97-2 |
|---|---|
| SMILES | CCOC(CC1=CC=CC=C1)OCC |
| InChIKey | FYERTDTXGGOMGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylacetaldehyde diethyl acetal (CAS 6314-97-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2,2-diethoxyethylbenzene.
Chemical Property Profile of Phenylacetaldehyde diethyl acetal
Property Insights of Phenylacetaldehyde diethyl acetal
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylacetaldehyde diethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, Phenylacetaldehyde diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylacetaldehyde diethyl acetal 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 Phenylacetaldehyde diethyl acetal?
The CAS number of Phenylacetaldehyde diethyl acetal is 6314-97-2.
What is the molecular formula of Phenylacetaldehyde diethyl acetal?
The molecular formula of Phenylacetaldehyde diethyl acetal is C12H18O2.
What is the molecular weight of Phenylacetaldehyde diethyl acetal?
The molecular weight of Phenylacetaldehyde diethyl acetal is 194.13 g/mol.
Where can I buy Phenylacetaldehyde diethyl acetal?
You can request a quote for Phenylacetaldehyde diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetaldehyde diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetaldehyde diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.