2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid (CAS 67266-41-5) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-dimethylindol-3-yl)-4-oxo-4-phenylbutanoic acid
Also Known As: 1,4-Naphthalenediol,6,7-dimethyl, 2-(1,2-dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid, 2-(1,2-dimethylindol-3-yl)-4-oxo-4-phenylbutanoic acid, 1,2-Dimethyl-alpha-(2-oxo-2-phenylethyl)-1H-indole-3-acetic acid, 1H-Indole-3-aceticacid, 1,2-dimethyl-a-(2-oxo-2-phenylethyl)-
| Molecular Formula | C20H19NO3 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1365 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 67266-41-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C(CC(=O)C3=CC=CC=C3)C(=O)O |
| InChIKey | XGUUQXUGNXOCLX-UHFFFAOYSA-N |
Product Overview
2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid (CAS 67266-41-5), with molecular formula C20H19NO3 and molecular weight 321.14 g/mol. IUPAC: 2-(1,2-dimethylindol-3-yl)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid
The XLogP value of 3.2 indicates that 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic 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
Frequently Asked Questions
What is the CAS number of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is 67266-41-5.
What is the molecular formula of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is C20H19NO3.
What is the molecular weight of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is 321.14 g/mol.
Where can I buy 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(1,2-Dimethyl-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-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-Dimethyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.