![1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile structure](/static/products/677/677319-65-2.png)
1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile
TL;DR: 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile (CAS 677319-65-2) is a chemical compound with molecular formula C18H17N3 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[(3-methylanilino)methyl]indole-3-carbonitrile
Also Known As: TimTec1_004868, BAS 01511050, BRD-K38097749-001-02-9, 1-Methyl-2-(m-tolylamino-methyl)-1H-indole-3-carbonitrile, 1-methyl-2-[(3-methylanilino)methyl]indole-3-carbonitrile
| Molecular Formula | C18H17N3 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 3.9705 |
| Topological Polar Surface Area | 40.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.14224 |
| Heavy Atoms | 21 |
| Complexity | 837.281 |
Chemical Identifiers
| CAS Number | 677319-65-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=C(C3=CC=CC=C3N2C)C#N |
Product Overview
1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile (CAS 677319-65-2), with molecular formula C18H17N3 and molecular weight 275.14 g/mol. IUPAC: 1-methyl-2-[(3-methylanilino)methyl]indole-3-carbonitrile.
Chemical Property Profile of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile
Property Insights of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile
The XLogP value of 3.9705 indicates that 1-methyl-2-{[(3-methylphenyl)amino]methyl}-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 40.75 Ų, 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile 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 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile?
The CAS number of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile is 677319-65-2.
What is the molecular formula of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile?
The molecular formula of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile is C18H17N3.
What is the molecular weight of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile?
The molecular weight of 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile is 275.14 g/mol.
Where can I buy 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile?
You can request a quote for 1-methyl-2-{[(3-methylphenyl)amino]methyl}-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-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-{[(3-methylphenyl)amino]methyl}-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.