F0470-0117
TL;DR: F0470-0117 (CAS 391869-12-8) is a chemical compound with molecular formula C19H15F3N4O2S2 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
Also Known As: F0470-0117, N-(5-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, N-[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide, N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide, N-[5-[(3-methylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
| Molecular Formula | C19H15F3N4O2S2 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 4.84842 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.05884 |
| Heavy Atoms | 30 |
| Complexity | 1069.6831 |
Chemical Identifiers
| CAS Number | 391869-12-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(F)(F)F |
Product Overview
F0470-0117 (CAS 391869-12-8), with molecular formula C19H15F3N4O2S2 and molecular weight 452.06 g/mol. IUPAC: N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide.
Chemical Property Profile of F0470-0117
Property Insights of F0470-0117
The XLogP value of 4.84842 indicates that F0470-0117 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 F0470-0117. Following Lipinski's Rule of Five, F0470-0117 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 F0470-0117?
The CAS number of F0470-0117 is 391869-12-8.
What is the molecular formula of F0470-0117?
The molecular formula of F0470-0117 is C19H15F3N4O2S2.
What is the molecular weight of F0470-0117?
The molecular weight of F0470-0117 is 452.06 g/mol.
Where can I buy F0470-0117?
You can request a quote for F0470-0117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0470-0117?
Yes, KEHONG BIO provides custom synthesis services for F0470-0117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.