Butyl angelate
TL;DR: Butyl angelate (CAS 7785-64-0) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methylbut-2-enoate
Also Known As: Butyl angelate, Butyl tiglate, n-Butyl tiglate, n-Butyl angelate, butyl 2-methylbut-2-enoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 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 | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 7785-64-0 |
|---|---|
| SMILES | CCCCOC(=O)C(=CC)C |
| InChIKey | RBGFLIOXJWFKKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl angelate (CAS 7785-64-0), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: butyl 2-methylbut-2-enoate.
Chemical Property Profile of Butyl angelate
Property Insights of Butyl angelate
The XLogP value of 3.1 indicates that Butyl angelate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl angelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl angelate 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 Butyl angelate?
The CAS number of Butyl angelate is 7785-64-0.
What is the molecular formula of Butyl angelate?
The molecular formula of Butyl angelate is C9H16O2.
What is the molecular weight of Butyl angelate?
The molecular weight of Butyl angelate is 156.12 g/mol.
Where can I buy Butyl angelate?
You can request a quote for Butyl angelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl angelate?
Yes, KEHONG BIO provides custom synthesis services for Butyl angelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.