4,4-Diethoxybut-2-ynal
TL;DR: 4,4-Diethoxybut-2-ynal (CAS 74149-25-0) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethoxybut-2-ynal
Also Known As: 4,4-diethoxybut-2-ynal, diethoxybutynal, 4,4-diethoxy-2-Butynal, 4,4-DIETHOXY-2-BUTYN-1-AL, 2-Butynal,4,4-diethoxy-
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.5878 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 148.45544 |
Chemical Identifiers
| CAS Number | 74149-25-0 |
|---|---|
| SMILES | CCOC(C#CC=O)OCC |
Product Overview
4,4-Diethoxybut-2-ynal (CAS 74149-25-0), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 4,4-diethoxybut-2-ynal.
Chemical Property Profile of 4,4-Diethoxybut-2-ynal
Property Insights of 4,4-Diethoxybut-2-ynal
The XLogP value of 0.5878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Diethoxybut-2-ynal. With a topological polar surface area (TPSA) of 35.53 Ų, 4,4-Diethoxybut-2-ynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diethoxybut-2-ynal 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 4,4-Diethoxybut-2-ynal?
The CAS number of 4,4-Diethoxybut-2-ynal is 74149-25-0.
What is the molecular formula of 4,4-Diethoxybut-2-ynal?
The molecular formula of 4,4-Diethoxybut-2-ynal is C8H12O3.
What is the molecular weight of 4,4-Diethoxybut-2-ynal?
The molecular weight of 4,4-Diethoxybut-2-ynal is 156.08 g/mol.
Where can I buy 4,4-Diethoxybut-2-ynal?
You can request a quote for 4,4-Diethoxybut-2-ynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diethoxybut-2-ynal?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diethoxybut-2-ynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.