1-Ethoxy-1-butyne
TL;DR: 1-Ethoxy-1-butyne (CAS 76-81-3) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxybut-1-yne
Also Known As: 1-ethoxy-1-butyne, 1-ethoxybut-1-yne, ethoxy(ethyl)acetylene, 1-Butynylethyl ether, 1-Butyne, 1-ethoxy-
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.3938 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 75.916145 |
Chemical Identifiers
| CAS Number | 76-81-3 |
|---|---|
| SMILES | CCC#COCC |
Product Overview
1-Ethoxy-1-butyne (CAS 76-81-3), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 1-ethoxybut-1-yne.
Chemical Property Profile of 1-Ethoxy-1-butyne
Property Insights of 1-Ethoxy-1-butyne
The XLogP value of 1.3938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-1-butyne. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Ethoxy-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-1-butyne 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 1-Ethoxy-1-butyne?
The CAS number of 1-Ethoxy-1-butyne is 76-81-3.
What is the molecular formula of 1-Ethoxy-1-butyne?
The molecular formula of 1-Ethoxy-1-butyne is C6H10O.
What is the molecular weight of 1-Ethoxy-1-butyne?
The molecular weight of 1-Ethoxy-1-butyne is 98.07 g/mol.
Where can I buy 1-Ethoxy-1-butyne?
You can request a quote for 1-Ethoxy-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.