2-(1,2-Dimethylindole-3-carbonyl)benzoic acid
TL;DR: 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid (CAS 22091-80-1) 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-(1,2-dimethylindole-3-carbonyl)benzoic acid
Also Known As: 2-(1,2-dimethylindole-3-carbonyl)benzoic acid, 1,2-dimethyl-3-(2-carboxybenzoyl)indole, NCI60_008720, J3.791.710I, 2-(1,2-dimethyl-1H-indole-3-carbonyl)benzoic acid
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 22091-80-1 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C(=O)C3=CC=CC=C3C(=O)O |
| InChIKey | BFRLZKOUBZTJSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,2-Dimethylindole-3-carbonyl)benzoic acid (CAS 22091-80-1), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: 2-(1,2-dimethylindole-3-carbonyl)benzoic acid.
Chemical Property Profile of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid
Property Insights of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid
The XLogP value of 3.2 indicates that 2-(1,2-Dimethylindole-3-carbonyl)benzoic 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-Dimethylindole-3-carbonyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2-Dimethylindole-3-carbonyl)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
Frequently Asked Questions
What is the CAS number of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid?
The CAS number of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid is 22091-80-1.
What is the molecular formula of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid?
The molecular formula of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid is C18H15NO3.
What is the molecular weight of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid?
The molecular weight of 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid is 293.11 g/mol.
Where can I buy 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid?
You can request a quote for 2-(1,2-Dimethylindole-3-carbonyl)benzoic 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-Dimethylindole-3-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-Dimethylindole-3-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.