Butane, 1-(ethynyloxy)-
TL;DR: Butane, 1-(ethynyloxy)- (CAS 3329-56-4) 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-ethynoxybutane
Also Known As: Butoxyacetylene, Butoxyacetylen, 1-butoxyethyne, Butane, 1-(ethynyloxy)-, 1-ethynoxybutane
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 3329-56-4 |
|---|---|
| SMILES | CCCCOC#C |
| InChIKey | SDMLPLSHKDLKLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1-(ethynyloxy)- (CAS 3329-56-4), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 1-ethynoxybutane.
Chemical Property Profile of Butane, 1-(ethynyloxy)-
Property Insights of Butane, 1-(ethynyloxy)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 1-(ethynyloxy)-. With a topological polar surface area (TPSA) of 9.2 Ų, Butane, 1-(ethynyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1-(ethynyloxy)- 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 Butane, 1-(ethynyloxy)-?
The CAS number of Butane, 1-(ethynyloxy)- is 3329-56-4.
What is the molecular formula of Butane, 1-(ethynyloxy)-?
The molecular formula of Butane, 1-(ethynyloxy)- is C6H10O.
What is the molecular weight of Butane, 1-(ethynyloxy)-?
The molecular weight of Butane, 1-(ethynyloxy)- is 98.07 g/mol.
Where can I buy Butane, 1-(ethynyloxy)-?
You can request a quote for Butane, 1-(ethynyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1-(ethynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1-(ethynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.