But-1-ene-3-yne, 1-ethoxy-
TL;DR: But-1-ene-3-yne, 1-ethoxy- (CAS 18311-19-8) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-ethoxybut-1-en-3-yne
Also Known As: But-1-ene-3-yne, 1-ethoxy-, 1-ethoxy-1-buten-3-yne, 1-ethoxybut-1-en-3-yne, 1-Ethoxy-1-butene-3-yne, (E)-1-ethoxybut-1-en-3-yne
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 1.1698 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 86.84337 |
Chemical Identifiers
| CAS Number | 18311-19-8 |
|---|---|
| SMILES | CCO/C=C/C#C |
Product Overview
But-1-ene-3-yne, 1-ethoxy- (CAS 18311-19-8), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: (E)-1-ethoxybut-1-en-3-yne.
Chemical Property Profile of But-1-ene-3-yne, 1-ethoxy-
Property Insights of But-1-ene-3-yne, 1-ethoxy-
The XLogP value of 1.1698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-1-ene-3-yne, 1-ethoxy-. With a topological polar surface area (TPSA) of 9.23 Ų, But-1-ene-3-yne, 1-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-1-ene-3-yne, 1-ethoxy- has 0 hydrogen bond donor(s) and 1 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 But-1-ene-3-yne, 1-ethoxy-?
The CAS number of But-1-ene-3-yne, 1-ethoxy- is 18311-19-8.
What is the molecular formula of But-1-ene-3-yne, 1-ethoxy-?
The molecular formula of But-1-ene-3-yne, 1-ethoxy- is C6H8O.
What is the molecular weight of But-1-ene-3-yne, 1-ethoxy-?
The molecular weight of But-1-ene-3-yne, 1-ethoxy- is 96.06 g/mol.
Where can I buy But-1-ene-3-yne, 1-ethoxy-?
You can request a quote for But-1-ene-3-yne, 1-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-1-ene-3-yne, 1-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for But-1-ene-3-yne, 1-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.