Benzyl 2-methylbut-2-enoate
TL;DR: Benzyl 2-methylbut-2-enoate (CAS 37526-88-8) 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 2-methylbut-2-enoate
Also Known As: Benzyl tiglate, Benzyltiglate, p-Nonylaniline, benzyl 2-methylbut-2-enoate, NCIOpen2_000451
| 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 | 37526-88-8 |
|---|---|
| SMILES | CC=C(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | QRGSTISKDZCDHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-methylbut-2-enoate (CAS 37526-88-8), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: benzyl 2-methylbut-2-enoate.
Chemical Property Profile of Benzyl 2-methylbut-2-enoate
Property Insights of Benzyl 2-methylbut-2-enoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-methylbut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-methylbut-2-enoate 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 2-methylbut-2-enoate?
The CAS number of Benzyl 2-methylbut-2-enoate is 37526-88-8.
What is the molecular formula of Benzyl 2-methylbut-2-enoate?
The molecular formula of Benzyl 2-methylbut-2-enoate is C12H14O2.
What is the molecular weight of Benzyl 2-methylbut-2-enoate?
The molecular weight of Benzyl 2-methylbut-2-enoate is 190.10 g/mol.
Where can I buy Benzyl 2-methylbut-2-enoate?
You can request a quote for Benzyl 2-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.