![4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile structure](/static/products/764/764709-15-1.png)
4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile
TL;DR: 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile (CAS 764709-15-1) is a chemical compound with molecular formula C18H14N2O and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-acetylindol-1-yl)methyl]benzonitrile
Also Known As: BAS 07210131, 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile, 4-(3-Acetyl-indol-1-ylmethyl)-benzonitrile, 4-[(3-acetylindol-1-yl)methyl]benzonitrile
| Molecular Formula | C18H14N2O |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.76388 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.11063 |
| Heavy Atoms | 21 |
| Complexity | 851.05084 |
Chemical Identifiers
| CAS Number | 764709-15-1 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N |
Product Overview
4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile (CAS 764709-15-1), with molecular formula C18H14N2O and molecular weight 274.11 g/mol. IUPAC: 4-[(3-acetylindol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile
Property Insights of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile
The XLogP value of 3.76388 indicates that 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile 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 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile?
The CAS number of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile is 764709-15-1.
What is the molecular formula of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile?
The molecular formula of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile is C18H14N2O.
What is the molecular weight of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile?
The molecular weight of 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile is 274.11 g/mol.
Where can I buy 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile?
You can request a quote for 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.