(E)-2-Butenyl benzoate
TL;DR: (E)-2-Butenyl benzoate (CAS 88927-00-8) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-but-2-enyl] benzoate
Also Known As: (E)-2-Butenyl benzoate, 2-buten-1-yl benzoate, but-2-en-1-yl benzoate, Benzoic acid 2-butenyl ester, benzoic acid,but-2-en-1-ol
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.4195 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 288.2184 |
Chemical Identifiers
| CAS Number | 88927-00-8 |
|---|---|
| SMILES | C/C=C/COC(=O)C1=CC=CC=C1 |
Product Overview
(E)-2-Butenyl benzoate (CAS 88927-00-8), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: [(E)-but-2-enyl] benzoate.
Chemical Property Profile of (E)-2-Butenyl benzoate
Property Insights of (E)-2-Butenyl benzoate
The XLogP value of 2.4195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Butenyl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-2-Butenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Butenyl benzoate 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 (E)-2-Butenyl benzoate?
The CAS number of (E)-2-Butenyl benzoate is 88927-00-8.
What is the molecular formula of (E)-2-Butenyl benzoate?
The molecular formula of (E)-2-Butenyl benzoate is C11H12O2.
What is the molecular weight of (E)-2-Butenyl benzoate?
The molecular weight of (E)-2-Butenyl benzoate is 176.08 g/mol.
Where can I buy (E)-2-Butenyl benzoate?
You can request a quote for (E)-2-Butenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Butenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Butenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.