F0528-0968
TL;DR: F0528-0968 (CAS 476452-46-7) is a chemical compound with molecular formula C22H28N4O2S and molecular weight 412.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-0968, N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, (1S,3s)-N-((4-(4-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-{[4-(p-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}-1-adamantanecarboxamide
| Molecular Formula | C22H28N4O2S |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 3.8304 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1933 |
| Heavy Atoms | 29 |
| Complexity | 872.7519 |
Chemical Identifiers
| CAS Number | 476452-46-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-0968 (CAS 476452-46-7), with molecular formula C22H28N4O2S and molecular weight 412.19 g/mol. IUPAC: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-0968
Property Insights of F0528-0968
The XLogP value of 3.8304 indicates that F0528-0968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-0968. Following Lipinski's Rule of Five, F0528-0968 has 1 hydrogen bond donor(s) and 5 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 F0528-0968?
The CAS number of F0528-0968 is 476452-46-7.
What is the molecular formula of F0528-0968?
The molecular formula of F0528-0968 is C22H28N4O2S.
What is the molecular weight of F0528-0968?
The molecular weight of F0528-0968 is 412.19 g/mol.
Where can I buy F0528-0968?
You can request a quote for F0528-0968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0968?
Yes, KEHONG BIO provides custom synthesis services for F0528-0968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.