3-o-Toluoyl-indole
TL;DR: 3-o-Toluoyl-indole (CAS 727-94-6) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl-(2-methylphenyl)methanone
Also Known As: 3-o-Toluoyl-indole, Indole, 3-(2-toluoyl)-, 3-(2-METHYLBENZOYL)-1H-INDOLE, (1H-Indol-3-yl)-o-tolyl-methanone, 1H-Indol-3-yl(2-methylphenyl)methanone
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 727-94-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | WXNXHQPQYBMBLE-UHFFFAOYSA-N |
Product Overview
3-o-Toluoyl-indole (CAS 727-94-6), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 1H-indol-3-yl-(2-methylphenyl)methanone.
Chemical Property Profile of 3-o-Toluoyl-indole
Property Insights of 3-o-Toluoyl-indole
The XLogP value of 4.1 indicates that 3-o-Toluoyl-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, 3-o-Toluoyl-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-o-Toluoyl-indole has 1 hydrogen bond donor(s) and 1 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 3-o-Toluoyl-indole?
The CAS number of 3-o-Toluoyl-indole is 727-94-6.
What is the molecular formula of 3-o-Toluoyl-indole?
The molecular formula of 3-o-Toluoyl-indole is C16H13NO.
What is the molecular weight of 3-o-Toluoyl-indole?
The molecular weight of 3-o-Toluoyl-indole is 235.10 g/mol.
Where can I buy 3-o-Toluoyl-indole?
You can request a quote for 3-o-Toluoyl-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-o-Toluoyl-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-o-Toluoyl-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.