1,1,4,4-Tetraethoxybut-2-yne
TL;DR: 1,1,4,4-Tetraethoxybut-2-yne (CAS 3973-08-8) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,4,4-tetraethoxybut-2-yne
Also Known As: 1,1,4,4-tetraethoxybut-2-yne, 1,1,4,4-TETRAETHOXY-2-BUTYNE, 2-Butyne,1,1,4,4-tetraethoxy-, J2.005.821H, 1,1,4,4-TETRAETHOXY-2-BUTYNE,99%
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 1.788 |
| Topological Polar Surface Area | 36.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 174.79964 |
Chemical Identifiers
| CAS Number | 3973-08-8 |
|---|---|
| SMILES | CCOC(C#CC(OCC)OCC)OCC |
Product Overview
1,1,4,4-Tetraethoxybut-2-yne (CAS 3973-08-8), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 1,1,4,4-tetraethoxybut-2-yne.
Chemical Property Profile of 1,1,4,4-Tetraethoxybut-2-yne
Property Insights of 1,1,4,4-Tetraethoxybut-2-yne
The XLogP value of 1.788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,4,4-Tetraethoxybut-2-yne. With a topological polar surface area (TPSA) of 36.92 Ų, 1,1,4,4-Tetraethoxybut-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4,4-Tetraethoxybut-2-yne has 0 hydrogen bond donor(s) and 4 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 1,1,4,4-Tetraethoxybut-2-yne?
The CAS number of 1,1,4,4-Tetraethoxybut-2-yne is 3973-08-8.
What is the molecular formula of 1,1,4,4-Tetraethoxybut-2-yne?
The molecular formula of 1,1,4,4-Tetraethoxybut-2-yne is C12H22O4.
What is the molecular weight of 1,1,4,4-Tetraethoxybut-2-yne?
The molecular weight of 1,1,4,4-Tetraethoxybut-2-yne is 230.15 g/mol.
Where can I buy 1,1,4,4-Tetraethoxybut-2-yne?
You can request a quote for 1,1,4,4-Tetraethoxybut-2-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,4,4-Tetraethoxybut-2-yne?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4,4-Tetraethoxybut-2-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.