2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid (CAS 6726-65-4) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid
Also Known As: PEO-IAA, 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid, 2-indol-3-yl-4-oxo-4-phenylbutanoic acid, 3,5-Difluorobenzhydrazide, 2-(1H-Indol-3-yl)-4-oxo-4-phenyl-butyric acid
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 6726-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O |
| InChIKey | SJVMWLJNHPHNPT-UHFFFAOYSA-N |
Product Overview
2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid (CAS 6726-65-4), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid has 2 hydrogen bond donor(s) and 3 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-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid is 6726-65-4.
What is the molecular formula of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid is C18H15NO3.
What is the molecular weight of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid is 293.11 g/mol.
Where can I buy 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.