F0417-1804
TL;DR: F0417-1804 (CAS 392301-85-8) is a chemical compound with molecular formula C21H22F3N3OS2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: F0417-1804, N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, (3r,5r,7r)-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
| Molecular Formula | C21H22F3N3OS2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 6.0041 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.11563 |
| Heavy Atoms | 30 |
| Complexity | 923.6842 |
Chemical Identifiers
| CAS Number | 392301-85-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC5=CC(=CC=C5)C(F)(F)F |
Product Overview
F0417-1804 (CAS 392301-85-8), with molecular formula C21H22F3N3OS2 and molecular weight 453.12 g/mol. IUPAC: N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of F0417-1804
Property Insights of F0417-1804
The XLogP value of 6.0041 indicates that F0417-1804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, F0417-1804 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0417-1804 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0417-1804?
The CAS number of F0417-1804 is 392301-85-8.
What is the molecular formula of F0417-1804?
The molecular formula of F0417-1804 is C21H22F3N3OS2.
What is the molecular weight of F0417-1804?
The molecular weight of F0417-1804 is 453.12 g/mol.
Where can I buy F0417-1804?
You can request a quote for F0417-1804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-1804?
Yes, KEHONG BIO provides custom synthesis services for F0417-1804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.