2-Buten-1-YL propionate
TL;DR: 2-Buten-1-YL propionate (CAS 58367-64-9) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-but-2-enyl] propanoate
Also Known As: (E)-crotyl propionate, 2-Buten-1-ol, propanoate, (E)-2-butenyl propanoate, But-2-en-1-yl propionate, Propionic acid 2-butenyl ester
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5157 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.48378 |
Chemical Identifiers
| CAS Number | 58367-64-9 |
|---|---|
| SMILES | CCC(=O)OC/C=C/C |
Product Overview
2-Buten-1-YL propionate (CAS 58367-64-9), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: [(E)-but-2-enyl] propanoate.
Chemical Property Profile of 2-Buten-1-YL propionate
Property Insights of 2-Buten-1-YL propionate
The XLogP value of 1.5157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-YL propionate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Buten-1-YL propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-YL propionate has 0 hydrogen bond donor(s) and 2 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 2-Buten-1-YL propionate?
The CAS number of 2-Buten-1-YL propionate is 58367-64-9.
What is the molecular formula of 2-Buten-1-YL propionate?
The molecular formula of 2-Buten-1-YL propionate is C7H12O2.
What is the molecular weight of 2-Buten-1-YL propionate?
The molecular weight of 2-Buten-1-YL propionate is 128.08 g/mol.
Where can I buy 2-Buten-1-YL propionate?
You can request a quote for 2-Buten-1-YL propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-YL propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-YL propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.