5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
TL;DR: 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde (CAS 405274-94-4) is a chemical compound with molecular formula C16H11BrFNO and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
Also Known As: 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde, BAS 04349184, 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde, 5-BROMO-1- -1H-INDOLE-3-CARBALDEHYDE, AO-081/40878366
| Molecular Formula | C16H11BrFNO |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 4.4037 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0008 |
| Heavy Atoms | 20 |
| Complexity | 794.27124 |
Chemical Identifiers
| CAS Number | 405274-94-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=C(C3=C2C=CC(=C3)Br)C=O)F |
Product Overview
5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde (CAS 405274-94-4), with molecular formula C16H11BrFNO and molecular weight 331.00 g/mol. IUPAC: 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde.
Chemical Property Profile of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
Property Insights of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
The XLogP value of 4.4037 indicates that 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde 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-fluorobenzyl)-1H-indole-3-carbaldehyde?
The CAS number of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde is 405274-94-4.
What is the molecular formula of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde?
The molecular formula of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde is C16H11BrFNO.
What is the molecular weight of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde?
The molecular weight of 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde is 331.00 g/mol.
Where can I buy 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde?
You can request a quote for 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde 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-fluorobenzyl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.