5-Fluoronicotinaldehyde
TL;DR: 5-Fluoronicotinaldehyde (CAS 39891-04-8) is a chemical compound with molecular formula C23H17F3N5OS+ and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-1-ium-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 5-Fluoronicotinaldehyde, 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-1-ium-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C23H17F3N5OS+ |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 4.55128 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.1106 |
| Heavy Atoms | 33 |
| Complexity | 1291.6648 |
Chemical Identifiers
| CAS Number | 39891-04-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)N)C#N |
Product Overview
5-Fluoronicotinaldehyde (CAS 39891-04-8), with molecular formula C23H17F3N5OS+ and molecular weight 468.11 g/mol. IUPAC: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-1-ium-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 5-Fluoronicotinaldehyde
Property Insights of 5-Fluoronicotinaldehyde
The XLogP value of 4.55128 indicates that 5-Fluoronicotinaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluoronicotinaldehyde. Following Lipinski's Rule of Five, 5-Fluoronicotinaldehyde has 2 hydrogen bond donor(s) and 5 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-Fluoronicotinaldehyde?
The CAS number of 5-Fluoronicotinaldehyde is 39891-04-8.
What is the molecular formula of 5-Fluoronicotinaldehyde?
The molecular formula of 5-Fluoronicotinaldehyde is C23H17F3N5OS+.
What is the molecular weight of 5-Fluoronicotinaldehyde?
The molecular weight of 5-Fluoronicotinaldehyde is 468.11 g/mol.
Where can I buy 5-Fluoronicotinaldehyde?
You can request a quote for 5-Fluoronicotinaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoronicotinaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoronicotinaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.