Phenylethyl tiglate
TL;DR: Phenylethyl tiglate (CAS 55719-85-2) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl (E)-2-methylbut-2-enoate
Also Known As: Phenethyl tiglate, Phenylethyl tiglate, 2-Phenylethyl tiglate, Phenethyl 2-methylcrotonate, Benzylcarbinyl tiglate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.7385 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 338.81342 |
Chemical Identifiers
| CAS Number | 55719-85-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OCCC1=CC=CC=C1 |
Product Overview
Phenylethyl tiglate (CAS 55719-85-2), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2-phenylethyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Phenylethyl tiglate
Property Insights of Phenylethyl tiglate
The XLogP value of 2.7385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylethyl tiglate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylethyl tiglate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylethyl tiglate 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 tiglate?
The CAS number of Phenylethyl tiglate is 55719-85-2.
What is the molecular formula of Phenylethyl tiglate?
The molecular formula of Phenylethyl tiglate is C13H16O2.
What is the molecular weight of Phenylethyl tiglate?
The molecular weight of Phenylethyl tiglate is 204.12 g/mol.
Where can I buy Phenylethyl tiglate?
You can request a quote for Phenylethyl tiglate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylethyl tiglate?
Yes, KEHONG BIO provides custom synthesis services for Phenylethyl tiglate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.