Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
TL;DR: Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) (CAS 2518-13-0) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl-(4-methoxyphenyl)methanone
Also Known As: 3-(p-Methoxybenzoyl)indole, 3-(4-Anisoyl)-indole, 1H-indol-3-yl-(4-methoxyphenyl)methanone, 3-(4-METHOXYBENZOYL)-1H-INDOLE, 1H-Indol-3-yl(4-methoxyphenyl)methanone
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 2518-13-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | KLNHIIYKFBCQQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) (CAS 2518-13-0), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 1H-indol-3-yl-(4-methoxyphenyl)methanone.
Chemical Property Profile of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
Property Insights of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
The XLogP value of 3.7 indicates that Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) has 1 hydrogen bond donor(s) and 2 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 Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)?
The CAS number of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) is 2518-13-0.
What is the molecular formula of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)?
The molecular formula of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) is C16H13NO2.
What is the molecular weight of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)?
The molecular weight of Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) is 251.09 g/mol.
Where can I buy Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)?
You can request a quote for Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)?
Yes, KEHONG BIO provides custom synthesis services for Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.