![4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid structure](/static/products/391/391613-85-7.png)
4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid
TL;DR: 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid (CAS 391613-85-7) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid
Also Known As: 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic Acid, 4-[(Z)-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]benzoic
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 2.8775 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 729.64215 |
Chemical Identifiers
| CAS Number | 391613-85-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)N2 |
Product Overview
4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid (CAS 391613-85-7), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid.
Chemical Property Profile of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid
Property Insights of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid
The XLogP value of 2.8775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid has 2 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 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid?
The CAS number of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid is 391613-85-7.
What is the molecular formula of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid is C16H11NO3.
What is the molecular weight of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid is 265.07 g/mol.
Where can I buy 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.