2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid
TL;DR: 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid (CAS 61658-91-1) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid
Also Known As: 2-(3-oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid, 2-(3-Oxoisobenzofuran-1(3H)-ylidene)-2-phenyl-acetic Acid (E/Z Mixture)
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 61658-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)C(=O)O |
| InChIKey | FYVAVBJZCHTYMI-UHFFFAOYSA-N |
Product Overview
2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid (CAS 61658-91-1), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: 2-(3-oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid.
Chemical Property Profile of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid
Property Insights of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid has 1 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 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid?
The CAS number of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid is 61658-91-1.
What is the molecular formula of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid?
The molecular formula of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid is C16H10O4.
What is the molecular weight of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid?
The molecular weight of 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid is 266.06 g/mol.
Where can I buy 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid?
You can request a quote for 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.