5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde
TL;DR: 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde (CAS 728024-41-7) 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-benzyl-5-fluoroindole-3-carbaldehyde
Also Known As: 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde, 1-benzyl-5-fluoroindole-3-carbaldehyde, ZERO/005398, 5-fluoro-1-benzylindole-3-carbaldehyde, 1-benzyl-5-fluoro-indole-3-carbaldehyde
| Molecular Formula | C16H12FNO |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.6412 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09029 |
| Heavy Atoms | 19 |
| Complexity | 731.0937 |
Chemical Identifiers
| CAS Number | 728024-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)F)C=O |
Product Overview
5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde (CAS 728024-41-7), with molecular formula C16H12FNO and molecular weight 253.09 g/mol. IUPAC: 1-benzyl-5-fluoroindole-3-carbaldehyde.
Chemical Property Profile of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde
Property Insights of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde
The XLogP value of 3.6412 indicates that 5-Fluoro-1-(phenylmethyl)-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, 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde 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-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde?
The CAS number of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde is 728024-41-7.
What is the molecular formula of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde?
The molecular formula of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde is C16H12FNO.
What is the molecular weight of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde?
The molecular weight of 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde is 253.09 g/mol.
Where can I buy 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde?
You can request a quote for 5-Fluoro-1-(phenylmethyl)-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 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.