F0417-0781
TL;DR: F0417-0781 (CAS 392297-06-2) is a chemical compound with molecular formula C18H12F3N5O4S2 and molecular weight 483.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: F0417-0781, 3-nitro-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 3-nitro-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide, 3-nitro-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 3-nitro-N-[5-[[2-(trifluoromethyl)phenyl]carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C18H12F3N5O4S2 |
|---|---|
| Molecular Weight | 483.03 g/mol |
| LogP | 4.4482 |
| Topological Polar Surface Area | 127.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.0283 |
| Heavy Atoms | 32 |
| Complexity | 1169.267 |
Chemical Identifiers
| CAS Number | 392297-06-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
F0417-0781 (CAS 392297-06-2), with molecular formula C18H12F3N5O4S2 and molecular weight 483.03 g/mol. IUPAC: 3-nitro-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of F0417-0781
Property Insights of F0417-0781
The XLogP value of 4.4482 indicates that F0417-0781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.12 Ų falls within the moderate polarity range, balancing permeability and solubility for F0417-0781. Following Lipinski's Rule of Five, F0417-0781 has 2 hydrogen bond donor(s) and 8 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 F0417-0781?
The CAS number of F0417-0781 is 392297-06-2.
What is the molecular formula of F0417-0781?
The molecular formula of F0417-0781 is C18H12F3N5O4S2.
What is the molecular weight of F0417-0781?
The molecular weight of F0417-0781 is 483.03 g/mol.
Where can I buy F0417-0781?
You can request a quote for F0417-0781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0781?
Yes, KEHONG BIO provides custom synthesis services for F0417-0781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.