(4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid
TL;DR: (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid (CAS 24766-47-0) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-3-oxo-1-phenyl-2-benzofuran-1-yl)acetic acid
Also Known As: 2-(4-methyl-3-oxo-1-phenyl-2-benzofuran-1-yl)acetic acid, (4-methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid, 1-Isobenzofuranaceticacid,1,3-dihydro-4-methyl-3-oxo-1-phenyl, 1-Isobenzofuranaceticacid, 1,3-dihydro-4-methyl-3-oxo-1-phenyl-
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 24766-47-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(OC2=O)(CC(=O)O)C3=CC=CC=C3 |
| InChIKey | JNWREOQIKVABPK-UHFFFAOYSA-N |
Product Overview
(4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid (CAS 24766-47-0), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: 2-(4-methyl-3-oxo-1-phenyl-2-benzofuran-1-yl)acetic acid.
Chemical Property Profile of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid
Property Insights of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid. Following Lipinski's Rule of Five, (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic 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 (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
The CAS number of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid is 24766-47-0.
What is the molecular formula of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
The molecular formula of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid is C17H14O4.
What is the molecular weight of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
The molecular weight of (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid is 282.09 g/mol.
Where can I buy (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
You can request a quote for (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.