F0528-1226
TL;DR: F0528-1226 (CAS 477301-98-7) is a chemical compound with molecular formula C21H25ClN4OS and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1226, N-{[4-(2-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[4-(2-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, (1s,3s)-N-((4-(2-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
| Molecular Formula | C21H25ClN4OS |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 4.4752 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.14377 |
| Heavy Atoms | 28 |
| Complexity | 876.27637 |
Chemical Identifiers
| CAS Number | 477301-98-7 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2Cl)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-1226 (CAS 477301-98-7), with molecular formula C21H25ClN4OS and molecular weight 416.14 g/mol. IUPAC: N-[[4-(2-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1226
Property Insights of F0528-1226
The XLogP value of 4.4752 indicates that F0528-1226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0528-1226 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0528-1226 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 F0528-1226?
The CAS number of F0528-1226 is 477301-98-7.
What is the molecular formula of F0528-1226?
The molecular formula of F0528-1226 is C21H25ClN4OS.
What is the molecular weight of F0528-1226?
The molecular weight of F0528-1226 is 416.14 g/mol.
Where can I buy F0528-1226?
You can request a quote for F0528-1226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1226?
Yes, KEHONG BIO provides custom synthesis services for F0528-1226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.