1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile
TL;DR: 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile (CAS 296245-33-5) is a chemical compound with molecular formula C17H14N2O and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(phenoxymethyl)indole-3-carbonitrile
Also Known As: BAS 01508350, 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile, Indole, 1-methyl-2-phenoxymethyl-3-cyano-, 1-methyl-2-(phenoxymethyl)indole-3-carbonitrile, 1-Methyl-2-phenoxymethyl-1H-indole-3-carbonitrile
| Molecular Formula | C17H14N2O |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.11063 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 296245-33-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1COC3=CC=CC=C3)C#N |
| InChIKey | UWSZNUCHRZMRHT-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile (CAS 296245-33-5), with molecular formula C17H14N2O and molecular weight 262.11 g/mol. IUPAC: 1-methyl-2-(phenoxymethyl)indole-3-carbonitrile.
Chemical Property Profile of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile
Property Insights of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile
The XLogP value of 3.2 indicates that 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.0 Ų, 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile has 0 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 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile?
The CAS number of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile is 296245-33-5.
What is the molecular formula of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile?
The molecular formula of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile is C17H14N2O.
What is the molecular weight of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile?
The molecular weight of 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile is 262.11 g/mol.
Where can I buy 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile?
You can request a quote for 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(phenoxymethyl)-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.