4-Ethoxy-2-methylbut-3-yn-2-ol
TL;DR: 4-Ethoxy-2-methylbut-3-yn-2-ol (CAS 20411-76-1) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2-methylbut-3-yn-2-ol
Also Known As: 4-ethoxy-2-methylbut-3-yn-2-ol, 3-butyn-2-ol, 4-ethoxy-2-methyl-, 4-ethoxy-2-methyl-3-butyn-2-ol, 3-Butyn-2-ol,4-ethoxy-2-methyl-, RefChem:292445
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 20411-76-1 |
|---|---|
| SMILES | CCOC#CC(C)(C)O |
| InChIKey | FAVKNDGCGWRAJR-UHFFFAOYSA-N |
Product Overview
4-Ethoxy-2-methylbut-3-yn-2-ol (CAS 20411-76-1), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4-ethoxy-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 4-Ethoxy-2-methylbut-3-yn-2-ol
Property Insights of 4-Ethoxy-2-methylbut-3-yn-2-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-2-methylbut-3-yn-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Ethoxy-2-methylbut-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-2-methylbut-3-yn-2-ol has 1 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 4-Ethoxy-2-methylbut-3-yn-2-ol?
The CAS number of 4-Ethoxy-2-methylbut-3-yn-2-ol is 20411-76-1.
What is the molecular formula of 4-Ethoxy-2-methylbut-3-yn-2-ol?
The molecular formula of 4-Ethoxy-2-methylbut-3-yn-2-ol is C7H12O2.
What is the molecular weight of 4-Ethoxy-2-methylbut-3-yn-2-ol?
The molecular weight of 4-Ethoxy-2-methylbut-3-yn-2-ol is 128.08 g/mol.
Where can I buy 4-Ethoxy-2-methylbut-3-yn-2-ol?
You can request a quote for 4-Ethoxy-2-methylbut-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-2-methylbut-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-2-methylbut-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.