Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-
TL;DR: Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- (CAS 309740-43-0) is a chemical compound with molecular formula C17H15N3 and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(anilinomethyl)-1-methylindole-3-carbonitrile
Also Known As: BAS 01511032, 2-(anilinomethyl)-1-methylindole-3-carbonitrile, AB01286769-01, 1-Methyl-2-phenylaminomethyl-1H-indole-3-carbonitrile, Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-
| Molecular Formula | C17H15N3 |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1266 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 309740-43-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=C3)C#N |
| InChIKey | PGLAEDODDYBJJW-UHFFFAOYSA-N |
Product Overview
Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- (CAS 309740-43-0), with molecular formula C17H15N3 and molecular weight 261.13 g/mol. IUPAC: 2-(anilinomethyl)-1-methylindole-3-carbonitrile.
Chemical Property Profile of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-
Property Insights of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-
The XLogP value of 3.2 indicates that Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- 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 Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-?
The CAS number of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- is 309740-43-0.
What is the molecular formula of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-?
The molecular formula of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- is C17H15N3.
What is the molecular weight of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-?
The molecular weight of Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- is 261.13 g/mol.
Where can I buy Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-?
You can request a quote for Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl-?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-carbonitrile, 1-methyl-2-phenylaminomethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.