1H-indol-2-yl-(4-methylphenyl)methanone
TL;DR: 1H-indol-2-yl-(4-methylphenyl)methanone (CAS 1026-21-7) 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-2-yl-(4-methylphenyl)methanone
Also Known As: 2-p-Toluoylindole, 1H-Indol-2-yl(p-tolyl) ketone, 1H-indol-2-yl-(4-methylphenyl)methanone, 2-(4-methylbenzoyl)-1H-indole, 2-(4-METHYLBENZOYL)INDOLE
| 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 | 306.0 |
Chemical Identifiers
| CAS Number | 1026-21-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3N2 |
| InChIKey | ABJJWHBJUVWQEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-indol-2-yl-(4-methylphenyl)methanone (CAS 1026-21-7), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 1H-indol-2-yl-(4-methylphenyl)methanone.
Chemical Property Profile of 1H-indol-2-yl-(4-methylphenyl)methanone
Property Insights of 1H-indol-2-yl-(4-methylphenyl)methanone
The XLogP value of 4.1 indicates that 1H-indol-2-yl-(4-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, 1H-indol-2-yl-(4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indol-2-yl-(4-methylphenyl)methanone 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 1H-indol-2-yl-(4-methylphenyl)methanone?
The CAS number of 1H-indol-2-yl-(4-methylphenyl)methanone is 1026-21-7.
What is the molecular formula of 1H-indol-2-yl-(4-methylphenyl)methanone?
The molecular formula of 1H-indol-2-yl-(4-methylphenyl)methanone is C16H13NO.
What is the molecular weight of 1H-indol-2-yl-(4-methylphenyl)methanone?
The molecular weight of 1H-indol-2-yl-(4-methylphenyl)methanone is 235.10 g/mol.
Where can I buy 1H-indol-2-yl-(4-methylphenyl)methanone?
You can request a quote for 1H-indol-2-yl-(4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indol-2-yl-(4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1H-indol-2-yl-(4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.