Phenylethyl-crotonate
TL;DR: Phenylethyl-crotonate (CAS 6289-54-9) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl but-2-enoate
Also Known As: 2-Phenylethyl crotonate, phenethyl but-2-enoate, phenethyl (E)-crotonate, PHENYLETHYL-CROTONATE, 2-phenylethyl but-2-enoate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 6289-54-9 |
|---|---|
| SMILES | CC=CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | DVHGIHSWUYRIPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylethyl-crotonate (CAS 6289-54-9), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 2-phenylethyl but-2-enoate.
Chemical Property Profile of Phenylethyl-crotonate
Property Insights of Phenylethyl-crotonate
The XLogP value of 3.1 indicates that Phenylethyl-crotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylethyl-crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylethyl-crotonate 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 Phenylethyl-crotonate?
The CAS number of Phenylethyl-crotonate is 6289-54-9.
What is the molecular formula of Phenylethyl-crotonate?
The molecular formula of Phenylethyl-crotonate is C12H14O2.
What is the molecular weight of Phenylethyl-crotonate?
The molecular weight of Phenylethyl-crotonate is 190.10 g/mol.
Where can I buy Phenylethyl-crotonate?
You can request a quote for Phenylethyl-crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylethyl-crotonate?
Yes, KEHONG BIO provides custom synthesis services for Phenylethyl-crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.