1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde
TL;DR: 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde (CAS 499111-62-5) is a chemical compound with molecular formula C16H11ClFNO and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-4-fluorophenyl)methyl]indole-3-carbaldehyde
Also Known As: 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde, 1-[(2-chloro-4-fluorophenyl)methyl]indole-3-carbaldehyde, Benzene, 4-ethynyl-1,2-difluoro-, 1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-3-carbaldehyde, 1- -1H-INDOLE-3-CARBALDEHYDE
| Molecular Formula | C16H11ClFNO |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.05133 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 499111-62-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)F)Cl)C=O |
| InChIKey | OMEHTJZBGICJMA-UHFFFAOYSA-N |
Product Overview
1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde (CAS 499111-62-5), with molecular formula C16H11ClFNO and molecular weight 287.05 g/mol. IUPAC: 1-[(2-chloro-4-fluorophenyl)methyl]indole-3-carbaldehyde.
Chemical Property Profile of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde
Property Insights of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde
The XLogP value of 3.8 indicates that 1-(2-chloro-4-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, 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde has 0 hydrogen bond donor(s) and 2 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-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde?
The CAS number of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde is 499111-62-5.
What is the molecular formula of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde?
The molecular formula of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde is C16H11ClFNO.
What is the molecular weight of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde?
The molecular weight of 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde is 287.05 g/mol.
Where can I buy 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde?
You can request a quote for 1-(2-chloro-4-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 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.