IFLab1_001490
TL;DR: IFLab1_001490 (CAS 392298-85-0) is a chemical compound with molecular formula C16H16ClF3N4O2S2 and molecular weight 452.04 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]-2,2-dimethylpropanamide
Also Known As: IFLab1_001490, F0417-0987, N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide, N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide, N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylpropanamide
| Molecular Formula | C16H16ClF3N4O2S2 |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 4.9257 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.03552 |
| Heavy Atoms | 28 |
| Complexity | 881.5048 |
Chemical Identifiers
| CAS Number | 392298-85-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
IFLab1_001490 (CAS 392298-85-0), with molecular formula C16H16ClF3N4O2S2 and molecular weight 452.04 g/mol. IUPAC: N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
Chemical Property Profile of IFLab1_001490
Property Insights of IFLab1_001490
The XLogP value of 4.9257 indicates that IFLab1_001490 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 IFLab1_001490. Following Lipinski's Rule of Five, IFLab1_001490 has 2 hydrogen bond donor(s) and 6 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 IFLab1_001490?
The CAS number of IFLab1_001490 is 392298-85-0.
What is the molecular formula of IFLab1_001490?
The molecular formula of IFLab1_001490 is C16H16ClF3N4O2S2.
What is the molecular weight of IFLab1_001490?
The molecular weight of IFLab1_001490 is 452.04 g/mol.
Where can I buy IFLab1_001490?
You can request a quote for IFLab1_001490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001490?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.