4-(1H-indol-5-yl)benzonitrile
TL;DR: 4-(1H-indol-5-yl)benzonitrile (CAS 694533-08-9) is a chemical compound with molecular formula C15H10N2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-indol-5-yl)benzonitrile
Also Known As: 4-(1H-indol-5-yl)benzonitrile, 4- -BENZONITRILE, 4-(1H-Indol-5-yl)-benzonitrile, 5-(4-cyano-phenyl)-indole, 4(1H-indol-5-yl)benzonitrile
| Molecular Formula | C15H10N2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 3.70658 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0844 |
| Heavy Atoms | 17 |
| Complexity | 699.61505 |
Chemical Identifiers
| CAS Number | 694533-08-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=CC3=C(C=C2)NC=C3 |
Product Overview
4-(1H-indol-5-yl)benzonitrile (CAS 694533-08-9), with molecular formula C15H10N2 and molecular weight 218.08 g/mol. IUPAC: 4-(1H-indol-5-yl)benzonitrile.
Chemical Property Profile of 4-(1H-indol-5-yl)benzonitrile
Property Insights of 4-(1H-indol-5-yl)benzonitrile
The XLogP value of 3.70658 indicates that 4-(1H-indol-5-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 4-(1H-indol-5-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-indol-5-yl)benzonitrile has 1 hydrogen bond donor(s) and 1 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-(1H-indol-5-yl)benzonitrile?
The CAS number of 4-(1H-indol-5-yl)benzonitrile is 694533-08-9.
What is the molecular formula of 4-(1H-indol-5-yl)benzonitrile?
The molecular formula of 4-(1H-indol-5-yl)benzonitrile is C15H10N2.
What is the molecular weight of 4-(1H-indol-5-yl)benzonitrile?
The molecular weight of 4-(1H-indol-5-yl)benzonitrile is 218.08 g/mol.
Where can I buy 4-(1H-indol-5-yl)benzonitrile?
You can request a quote for 4-(1H-indol-5-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-indol-5-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-indol-5-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.