1-(4-fluorobenzyl)-1H-indole-3-carbonitrile
TL;DR: 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile (CAS 496960-37-3) is a chemical compound with molecular formula C16H11FN2 and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]indole-3-carbonitrile
Also Known As: starbld0016030, 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile, TimTec1_007635, 1-[(4-fluorophenyl)methyl]indole-3-carbonitrile, IDI1_033289
| Molecular Formula | C16H11FN2 |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 3.70038 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.09062 |
| Heavy Atoms | 19 |
| Complexity | 763.53845 |
Chemical Identifiers
| CAS Number | 496960-37-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C#N |
Product Overview
1-(4-fluorobenzyl)-1H-indole-3-carbonitrile (CAS 496960-37-3), with molecular formula C16H11FN2 and molecular weight 250.09 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]indole-3-carbonitrile.
Chemical Property Profile of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile
Property Insights of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile
The XLogP value of 3.70038 indicates that 1-(4-fluorobenzyl)-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 28.72 Ų, 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile has 0 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 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile?
The CAS number of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile is 496960-37-3.
What is the molecular formula of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile?
The molecular formula of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile is C16H11FN2.
What is the molecular weight of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile?
The molecular weight of 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile is 250.09 g/mol.
Where can I buy 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile?
You can request a quote for 1-(4-fluorobenzyl)-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-(4-fluorobenzyl)-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.