F0417-1036
TL;DR: F0417-1036 (CAS 392299-19-3) is a chemical compound with molecular formula C20H16ClF3N4O2S2 and molecular weight 500.04 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]-3,4-dimethylbenzamide
Also Known As: F0417-1036, N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide, N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethylbenzamide, N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
| Molecular Formula | C20H16ClF3N4O2S2 |
|---|---|
| Molecular Weight | 500.04 g/mol |
| LogP | 5.81024 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.03552 |
| Heavy Atoms | 32 |
| Complexity | 1167.9869 |
Chemical Identifiers
| CAS Number | 392299-19-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C |
Product Overview
F0417-1036 (CAS 392299-19-3), with molecular formula C20H16ClF3N4O2S2 and molecular weight 500.04 g/mol. IUPAC: N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide.
Chemical Property Profile of F0417-1036
Property Insights of F0417-1036
The XLogP value of 5.81024 indicates that F0417-1036 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 F0417-1036. Following Lipinski's Rule of Five, F0417-1036 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 F0417-1036?
The CAS number of F0417-1036 is 392299-19-3.
What is the molecular formula of F0417-1036?
The molecular formula of F0417-1036 is C20H16ClF3N4O2S2.
What is the molecular weight of F0417-1036?
The molecular weight of F0417-1036 is 500.04 g/mol.
Where can I buy F0417-1036?
You can request a quote for F0417-1036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-1036?
Yes, KEHONG BIO provides custom synthesis services for F0417-1036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.