![3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde structure](/static/products/6802/680218-08-0.webp)
3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde
TL;DR: 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde (CAS 680218-08-0) is a chemical compound with molecular formula C13H7F3N2O3S and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzaldehyde
Also Known As: 3-nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde, 3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzaldehyde, 3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzaldehyde, 3-nitro-4-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzaldehyde
| Molecular Formula | C13H7F3N2O3S |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 3.9723 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.01294 |
| Heavy Atoms | 22 |
| Complexity | 717.4605 |
Chemical Identifiers
| CAS Number | 680218-08-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NC=C(C=C2)C(F)(F)F |
Product Overview
3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde (CAS 680218-08-0), with molecular formula C13H7F3N2O3S and molecular weight 328.01 g/mol. IUPAC: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzaldehyde.
Chemical Property Profile of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde
Property Insights of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde
The XLogP value of 3.9723 indicates that 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde. Following Lipinski's Rule of Five, 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde has 0 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 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde?
The CAS number of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde is 680218-08-0.
What is the molecular formula of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde?
The molecular formula of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde is C13H7F3N2O3S.
What is the molecular weight of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde?
The molecular weight of 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde is 328.01 g/mol.
Where can I buy 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde?
You can request a quote for 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-{[5-(trifluoromethyl)-2-pyridyl]thio}benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.