F0528-1269
TL;DR: F0528-1269 (CAS 477302-40-2) is a chemical compound with molecular formula C22H25F3N4OS and molecular weight 450.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1269, (1S,3s)-N-((5-(methylthio)-4-(4-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-{[5-(methylsulfanyl)-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[5-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-{[5-(methylthio)-4-[p-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-1-adamantanecarboxamide
| Molecular Formula | C22H25F3N4OS |
|---|---|
| Molecular Weight | 450.17 g/mol |
| LogP | 4.8406 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1701 |
| Heavy Atoms | 31 |
| Complexity | 950.34827 |
Chemical Identifiers
| CAS Number | 477302-40-2 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=C(C=C2)C(F)(F)F)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-1269 (CAS 477302-40-2), with molecular formula C22H25F3N4OS and molecular weight 450.17 g/mol. IUPAC: N-[[5-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1269
Property Insights of F0528-1269
The XLogP value of 4.8406 indicates that F0528-1269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0528-1269 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0528-1269 has 1 hydrogen bond donor(s) and 4 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 F0528-1269?
The CAS number of F0528-1269 is 477302-40-2.
What is the molecular formula of F0528-1269?
The molecular formula of F0528-1269 is C22H25F3N4OS.
What is the molecular weight of F0528-1269?
The molecular weight of F0528-1269 is 450.17 g/mol.
Where can I buy F0528-1269?
You can request a quote for F0528-1269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1269?
Yes, KEHONG BIO provides custom synthesis services for F0528-1269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.