Benzyl tiglate
TL;DR: Benzyl tiglate (CAS 78448-04-1) 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.
benzyl (E)-2-methylbut-2-enoate
Also Known As: Benzyl tiglate, Tiglic Acid Benzyl Ester, p-Nonylaniline, Benzyltiglate, benzyl-tiglate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 78448-04-1 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OCC1=CC=CC=C1 |
| InChIKey | QRGSTISKDZCDHV-XCVCLJGOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl tiglate (CAS 78448-04-1), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: benzyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Benzyl tiglate
Property Insights of Benzyl tiglate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl tiglate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl tiglate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl tiglate?
The CAS number of Benzyl tiglate is 78448-04-1.
What is the molecular formula of Benzyl tiglate?
The molecular formula of Benzyl tiglate is C12H14O2.
What is the molecular weight of Benzyl tiglate?
The molecular weight of Benzyl tiglate is 190.10 g/mol.
Where can I buy Benzyl tiglate?
You can request a quote for Benzyl tiglate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl tiglate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl tiglate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.