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1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
TL;DR: 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde (CAS 459803-08-8) is a chemical compound with molecular formula C16H12FNO and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde
Also Known As: 1-(3-fluorobenzyl)-1H-indole-3-carbaldehyde, Aethylen-bis-dithiocarbamat, 1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde, 1-[(3-fluorophenyl)methyl]-1H-indole-3-carbaldehyde, 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
| Molecular Formula | C16H12FNO |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09029 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 459803-08-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=O |
| InChIKey | LOQNMLHIQHBGJV-UHFFFAOYSA-N |
Product Overview
1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde (CAS 459803-08-8), with molecular formula C16H12FNO and molecular weight 253.09 g/mol. IUPAC: 1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde.
Chemical Property Profile of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
Property Insights of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
The XLogP value of 3.2 indicates that 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde 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-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde 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-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde?
The CAS number of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde is 459803-08-8.
What is the molecular formula of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde?
The molecular formula of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde is C16H12FNO.
What is the molecular weight of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde?
The molecular weight of 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde is 253.09 g/mol.
Where can I buy 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde?
You can request a quote for 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.