5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile
TL;DR: 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile (CAS 640258-18-0) is a chemical compound with molecular formula C16H10BrClN2 and molecular weight 343.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(2-chlorophenyl)methyl]indole-3-carbonitrile
Also Known As: 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile, 5-bromo-1-[(2-chlorophenyl)methyl]indole-3-carbonitrile, AO-081/41130807
| Molecular Formula | C16H10BrClN2 |
|---|---|
| Molecular Weight | 343.97 g/mol |
| LogP | 4.97718 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.9716 |
| Heavy Atoms | 20 |
| Complexity | 830.0994 |
Chemical Identifiers
| CAS Number | 640258-18-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=C(C3=C2C=CC(=C3)Br)C#N)Cl |
Product Overview
5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile (CAS 640258-18-0), with molecular formula C16H10BrClN2 and molecular weight 343.97 g/mol. IUPAC: 5-bromo-1-[(2-chlorophenyl)methyl]indole-3-carbonitrile.
Chemical Property Profile of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile
Property Insights of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile
The XLogP value of 4.97718 indicates that 5-bromo-1-(2-chlorobenzyl)-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, 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-1-(2-chlorobenzyl)-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 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile?
The CAS number of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile is 640258-18-0.
What is the molecular formula of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile?
The molecular formula of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile is C16H10BrClN2.
What is the molecular weight of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile?
The molecular weight of 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile is 343.97 g/mol.
Where can I buy 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile?
You can request a quote for 5-bromo-1-(2-chlorobenzyl)-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 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-(2-chlorobenzyl)-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.