![4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid structure](/static/products/139/1393687-56-3.webp)
4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid
TL;DR: 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid (CAS 1393687-56-3) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]benzoic acid
Also Known As: AB00742613-01, 4-[(3-oxo-1H-inden-2-ylidene)methyl]benzoic Acid, 4-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]benzoic acid, 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid, 4-[(E)-(1-Oxo-1,3-dihydro-2H-inden-2-ylidene)methyl]benzoic acid
Technical Specifications
| Molecular Formula | C17H12O3 |
| Molecular Weight | 264.07864 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.07864 Da |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
| SMILES | C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=C(C=C3)C(=O)O |
| InChIKey | ZKHJNABQNGURHC-NTEUORMPSA-N |
Chemical Property Profile of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid
Property Insights of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid
The XLogP value of 3.3 indicates that 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid?
The CAS number of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid is 1393687-56-3.
What is the molecular formula of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid is C17H12O3.
What is the molecular weight of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid is 264.07864 g/mol.
Where can I buy 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.