![Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- structure](/static/products/6769/67697-49-8.webp)
Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-
TL;DR: Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- (CAS 67697-49-8) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-butyl-2-methylindole-3-carbonyl)benzoic acid
Also Known As: Benzoic acid, 2-((1-butyl-2-methyl-1H-indol-3-yl)carbonyl)-, 2-(1-Butyl-2-methyl-1H-indol-3-yl)carbonyl)benzoic acid, Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-, 2-[(1-butyl-2-methyl-1h-indol-3-yl)carbonyl]benzoic acid, 2-(1-butyl-2-methyl-1H-indole-3-carbonyl)benzoic acid
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 67697-49-8 |
|---|---|
| SMILES | CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3C(=O)O)C |
| InChIKey | CCSUXQLIZFUPDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- (CAS 67697-49-8), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 2-(1-butyl-2-methylindole-3-carbonyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-
Property Insights of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-
The XLogP value of 4.5 indicates that Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- 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 Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-?
The CAS number of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- is 67697-49-8.
What is the molecular formula of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-?
The molecular formula of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- is C21H21NO3.
What is the molecular weight of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-?
The molecular weight of Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- is 335.15 g/mol.
Where can I buy Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-?
You can request a quote for Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(1-butyl-2-methyl-1H-indol-3-yl)carbonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.