Benzyl crotonate, (E)-
TL;DR: Benzyl crotonate, (E)- (CAS 92758-75-3) 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.
benzyl (E)-but-2-enoate
Also Known As: Benzyl crotonate, Benzyl but-2-enoate, Benzyl 2-butenoate, BenzylCrotonate, benzyl (E)-but-2-enoate
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.3059 |
| 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 | 92758-75-3 |
|---|---|
| SMILES | C/C=C/C(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyl crotonate, (E)- (CAS 92758-75-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: benzyl (E)-but-2-enoate.
Chemical Property Profile of Benzyl crotonate, (E)-
Property Insights of Benzyl crotonate, (E)-
The XLogP value of 2.3059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl crotonate, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl crotonate, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl crotonate, (E)- 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 Benzyl crotonate, (E)-?
The CAS number of Benzyl crotonate, (E)- is 92758-75-3.
What is the molecular formula of Benzyl crotonate, (E)-?
The molecular formula of Benzyl crotonate, (E)- is C11H12O2.
What is the molecular weight of Benzyl crotonate, (E)-?
The molecular weight of Benzyl crotonate, (E)- is 176.08 g/mol.
Where can I buy Benzyl crotonate, (E)-?
You can request a quote for Benzyl crotonate, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl crotonate, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzyl crotonate, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.