Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate
TL;DR: Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate (CAS 7250-20-6) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate
Also Known As: hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate, hexyl (2E)-2-(3-oxo-2-benzofuran-1-ylidene)acetate
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 7250-20-6 |
|---|---|
| SMILES | CCCCCCOC(=O)C=C1C2=CC=CC=C2C(=O)O1 |
| InChIKey | VFOAICPZLPGGEP-UHFFFAOYSA-N |
Product Overview
Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate (CAS 7250-20-6), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate.
Chemical Property Profile of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate
Property Insights of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate
The XLogP value of 3.8 indicates that Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate has 0 hydrogen bond donor(s) and 4 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 Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate?
The CAS number of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate is 7250-20-6.
What is the molecular formula of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate?
The molecular formula of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate is C16H18O4.
What is the molecular weight of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate?
The molecular weight of Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate is 274.12 g/mol.
Where can I buy Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate?
You can request a quote for Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-(3-oxo-2-benzofuran-1-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.