3-Ethoxyacrolein diethyl acetal
TL;DR: 3-Ethoxyacrolein diethyl acetal (CAS 5444-80-4) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-triethoxyprop-1-ene
Also Known As: 1,3,3-Triethoxypropene, 1,3,3-Triethoxy-1-propene, 1,3,3-Triethoxy propene, 1,3,3-triethoxyprop-1-ene, Propene, 1,3,3-triethoxy-
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 5444-80-4 |
|---|---|
| SMILES | CCOC=CC(OCC)OCC |
| InChIKey | ATAQLIDYIFWHFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxyacrolein diethyl acetal (CAS 5444-80-4), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 1,3,3-triethoxyprop-1-ene.
Chemical Property Profile of 3-Ethoxyacrolein diethyl acetal
Property Insights of 3-Ethoxyacrolein diethyl acetal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxyacrolein diethyl acetal. With a topological polar surface area (TPSA) of 27.7 Ų, 3-Ethoxyacrolein diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxyacrolein diethyl acetal has 0 hydrogen bond donor(s) and 3 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 3-Ethoxyacrolein diethyl acetal?
The CAS number of 3-Ethoxyacrolein diethyl acetal is 5444-80-4.
What is the molecular formula of 3-Ethoxyacrolein diethyl acetal?
The molecular formula of 3-Ethoxyacrolein diethyl acetal is C9H18O3.
What is the molecular weight of 3-Ethoxyacrolein diethyl acetal?
The molecular weight of 3-Ethoxyacrolein diethyl acetal is 174.13 g/mol.
Where can I buy 3-Ethoxyacrolein diethyl acetal?
You can request a quote for 3-Ethoxyacrolein diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxyacrolein diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxyacrolein diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.