Phenylpropargyl aldehyde diethyl acetal
TL;DR: Phenylpropargyl aldehyde diethyl acetal (CAS 6142-95-6) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethoxyprop-1-ynylbenzene
Also Known As: (3,3-diethoxyprop-1-yn-1-yl)benzene, Phenylpropargyl aldehyde diethyl acetal, 3,3-diethoxyprop-1-ynylbenzene, PHENYLPROPIOLALDEHYDE DIETHYL ACETAL, 3-Phenylpropynal diethyl acetal
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 6142-95-6 |
|---|---|
| SMILES | CCOC(C#CC1=CC=CC=C1)OCC |
| InChIKey | DTEGZYXCDQFSBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylpropargyl aldehyde diethyl acetal (CAS 6142-95-6), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 3,3-diethoxyprop-1-ynylbenzene.
Chemical Property Profile of Phenylpropargyl aldehyde diethyl acetal
Property Insights of Phenylpropargyl aldehyde diethyl acetal
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylpropargyl aldehyde diethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, Phenylpropargyl aldehyde diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylpropargyl aldehyde 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 Phenylpropargyl aldehyde diethyl acetal?
The CAS number of Phenylpropargyl aldehyde diethyl acetal is 6142-95-6.
What is the molecular formula of Phenylpropargyl aldehyde diethyl acetal?
The molecular formula of Phenylpropargyl aldehyde diethyl acetal is C13H16O2.
What is the molecular weight of Phenylpropargyl aldehyde diethyl acetal?
The molecular weight of Phenylpropargyl aldehyde diethyl acetal is 204.12 g/mol.
Where can I buy Phenylpropargyl aldehyde diethyl acetal?
You can request a quote for Phenylpropargyl aldehyde diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylpropargyl aldehyde diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Phenylpropargyl aldehyde diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.