1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde
TL;DR: 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde (CAS 301822-68-4) is a chemical compound with molecular formula C16H11F2NO and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,5-difluorophenyl)methyl]indole-3-carbaldehyde
Also Known As: 1-(3,5-DIFLUOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE, 1-[(3,5-difluorophenyl)methyl]indole-3-carbaldehyde, 1-(3,5-difluorobenzyl)-1H-indole-3-carboxaldehyde, 1-[(3,5-Difluorophenyl)methyl]-1H-indole-3-carbaldehyde
| Molecular Formula | C16H11F2NO |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.7803 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08087 |
| Heavy Atoms | 20 |
| Complexity | 772.02124 |
Chemical Identifiers
| CAS Number | 301822-68-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC(=C3)F)F)C=O |
Product Overview
1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde (CAS 301822-68-4), with molecular formula C16H11F2NO and molecular weight 271.08 g/mol. IUPAC: 1-[(3,5-difluorophenyl)methyl]indole-3-carbaldehyde.
Chemical Property Profile of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde
Property Insights of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde
The XLogP value of 3.7803 indicates that 1-(3,5-Difluorobenzyl)-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, 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Difluorobenzyl)-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 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde?
The CAS number of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde is 301822-68-4.
What is the molecular formula of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde?
The molecular formula of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde is C16H11F2NO.
What is the molecular weight of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde?
The molecular weight of 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde is 271.08 g/mol.
Where can I buy 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde?
You can request a quote for 1-(3,5-Difluorobenzyl)-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 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Difluorobenzyl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.