1-Butoxy-1-buten-3-yne
TL;DR: 1-Butoxy-1-buten-3-yne (CAS 2798-72-3) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-but-1-en-3-ynoxybutane
Also Known As: ethynylvinyl butyl ether, 1-Butoxy-1-buten-3-yne, 1-Butoxybut-1-en-3-yne
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 2798-72-3 |
|---|---|
| SMILES | CCCCOC=CC#C |
| InChIKey | FMSGJPWEFWNZHI-UHFFFAOYSA-N |
Product Overview
1-Butoxy-1-buten-3-yne (CAS 2798-72-3), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 1-but-1-en-3-ynoxybutane.
Chemical Property Profile of 1-Butoxy-1-buten-3-yne
Property Insights of 1-Butoxy-1-buten-3-yne
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butoxy-1-buten-3-yne. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Butoxy-1-buten-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-1-buten-3-yne 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-Butoxy-1-buten-3-yne?
The CAS number of 1-Butoxy-1-buten-3-yne is 2798-72-3.
What is the molecular formula of 1-Butoxy-1-buten-3-yne?
The molecular formula of 1-Butoxy-1-buten-3-yne is C8H12O.
What is the molecular weight of 1-Butoxy-1-buten-3-yne?
The molecular weight of 1-Butoxy-1-buten-3-yne is 124.09 g/mol.
Where can I buy 1-Butoxy-1-buten-3-yne?
You can request a quote for 1-Butoxy-1-buten-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-1-buten-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-1-buten-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.