F0417-1029
TL;DR: F0417-1029 (CAS 392299-13-7) is a chemical compound with molecular formula C18H11ClF4N4O2S2 and molecular weight 489.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
Also Known As: F0417-1029, N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-fluorobenzamide, N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide, N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide, N-(5-{[N-2-chloro-5-(trifluoromethyl)phenylcarbamoyl]methylthio}-1,3,4-thiadiazol-2-yl)p-fluorobenzamide
| Molecular Formula | C18H11ClF4N4O2S2 |
|---|---|
| Molecular Weight | 489.99 g/mol |
| LogP | 5.3325 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.9948 |
| Heavy Atoms | 31 |
| Complexity | 1106.6843 |
Chemical Identifiers
| CAS Number | 392299-13-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)F |
Product Overview
F0417-1029 (CAS 392299-13-7), with molecular formula C18H11ClF4N4O2S2 and molecular weight 489.99 g/mol. IUPAC: N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide.
Chemical Property Profile of F0417-1029
Property Insights of F0417-1029
The XLogP value of 5.3325 indicates that F0417-1029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0417-1029. Following Lipinski's Rule of Five, F0417-1029 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0417-1029?
The CAS number of F0417-1029 is 392299-13-7.
What is the molecular formula of F0417-1029?
The molecular formula of F0417-1029 is C18H11ClF4N4O2S2.
What is the molecular weight of F0417-1029?
The molecular weight of F0417-1029 is 489.99 g/mol.
Where can I buy F0417-1029?
You can request a quote for F0417-1029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-1029?
Yes, KEHONG BIO provides custom synthesis services for F0417-1029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.