![4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile structure](/static/products/677/677015-20-2.png)
4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile
TL;DR: 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile (CAS 677015-20-2) is a chemical compound with molecular formula C23H16N2O and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-benzoylindol-1-yl)methyl]benzonitrile
Also Known As: 4-[(3-benzoylindol-1-yl)methyl]benzonitrile, 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile, 4-[(3-benzoyl-1h-indol-1-yl)methyl]benzonitrile
| Molecular Formula | C23H16N2O |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 4.79228 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.12625 |
| Heavy Atoms | 26 |
| Complexity | 1116.5566 |
Chemical Identifiers
| CAS Number | 677015-20-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N |
Product Overview
4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile (CAS 677015-20-2), with molecular formula C23H16N2O and molecular weight 336.13 g/mol. IUPAC: 4-[(3-benzoylindol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile
Property Insights of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile
The XLogP value of 4.79228 indicates that 4-{[3-(phenylcarbonyl)-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-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[3-(phenylcarbonyl)-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-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile?
The CAS number of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile is 677015-20-2.
What is the molecular formula of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile?
The molecular formula of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile is C23H16N2O.
What is the molecular weight of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile?
The molecular weight of 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile is 336.13 g/mol.
Where can I buy 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile?
You can request a quote for 4-{[3-(phenylcarbonyl)-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-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(phenylcarbonyl)-1H-indol-1-yl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.