1-(Allyloxy)butane
TL;DR: 1-(Allyloxy)butane (CAS 3739-64-8) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enoxybutane
Also Known As: Allyl butyl ether, 1-(Allyloxy)butane, Butyl allyl ether, 1-prop-2-enoxybutane, Ether, allyl butyl
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 3739-64-8 |
|---|---|
| SMILES | CCCCOCC=C |
| InChIKey | IBTLFDCPAJLATQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Allyloxy)butane (CAS 3739-64-8), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 1-prop-2-enoxybutane.
Chemical Property Profile of 1-(Allyloxy)butane
Property Insights of 1-(Allyloxy)butane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Allyloxy)butane. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Allyloxy)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Allyloxy)butane 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-(Allyloxy)butane?
The CAS number of 1-(Allyloxy)butane is 3739-64-8.
What is the molecular formula of 1-(Allyloxy)butane?
The molecular formula of 1-(Allyloxy)butane is C7H14O.
What is the molecular weight of 1-(Allyloxy)butane?
The molecular weight of 1-(Allyloxy)butane is 114.10 g/mol.
Where can I buy 1-(Allyloxy)butane?
You can request a quote for 1-(Allyloxy)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Allyloxy)butane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Allyloxy)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.