1-Propoxybut-2-ene
TL;DR: 1-Propoxybut-2-ene (CAS 18409-01-3) 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-propoxybut-2-ene
Also Known As: 2-Butene, 1-propoxy-, 1-propoxy-but-2-ene, 1-PROPOXYBUT-2-ENE
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 18409-01-3 |
|---|---|
| SMILES | CCCOCC=CC |
| InChIKey | IHZUHZICKKWHPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propoxybut-2-ene (CAS 18409-01-3), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 1-propoxybut-2-ene.
Chemical Property Profile of 1-Propoxybut-2-ene
Property Insights of 1-Propoxybut-2-ene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propoxybut-2-ene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Propoxybut-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propoxybut-2-ene 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-Propoxybut-2-ene?
The CAS number of 1-Propoxybut-2-ene is 18409-01-3.
What is the molecular formula of 1-Propoxybut-2-ene?
The molecular formula of 1-Propoxybut-2-ene is C7H14O.
What is the molecular weight of 1-Propoxybut-2-ene?
The molecular weight of 1-Propoxybut-2-ene is 114.10 g/mol.
Where can I buy 1-Propoxybut-2-ene?
You can request a quote for 1-Propoxybut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propoxybut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1-Propoxybut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.