2-Butyn-1-al diethyl acetal
TL;DR: 2-Butyn-1-al diethyl acetal (CAS 2806-97-5) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxybut-2-yne
Also Known As: 1,1-diethoxybut-2-yne, 2-BUTYNAL DIETHYL ACETAL, 2-Butyn-1-al diethyl acetal, 2-BUTYNALDIETHYLACETAL, 1,1-Diethoxy-2-butyne
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 2806-97-5 |
|---|---|
| SMILES | CCOC(C#CC)OCC |
| InChIKey | FKKVKKSEVMQYER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyn-1-al diethyl acetal (CAS 2806-97-5), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 1,1-diethoxybut-2-yne.
Chemical Property Profile of 2-Butyn-1-al diethyl acetal
Property Insights of 2-Butyn-1-al diethyl acetal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-al diethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Butyn-1-al diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-al 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 2-Butyn-1-al diethyl acetal?
The CAS number of 2-Butyn-1-al diethyl acetal is 2806-97-5.
What is the molecular formula of 2-Butyn-1-al diethyl acetal?
The molecular formula of 2-Butyn-1-al diethyl acetal is C8H14O2.
What is the molecular weight of 2-Butyn-1-al diethyl acetal?
The molecular weight of 2-Butyn-1-al diethyl acetal is 142.10 g/mol.
Where can I buy 2-Butyn-1-al diethyl acetal?
You can request a quote for 2-Butyn-1-al diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-al diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-al diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.