F0528-1067
TL;DR: F0528-1067 (CAS 477300-35-9) is a chemical compound with molecular formula C36H46N6O2S and molecular weight 626.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,6-diethylphenyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1067, (1S,3s)-N-((4-(2,6-diethylphenyl)-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-{[4-(2,6-diethylphenyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[4-(2,6-diethylphenyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C36H46N6O2S |
|---|---|
| Molecular Weight | 626.34 g/mol |
| LogP | 5.6656 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 626.3403 |
| Heavy Atoms | 45 |
| Complexity | 1471.9575 |
Chemical Identifiers
| CAS Number | 477300-35-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CNC(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
F0528-1067 (CAS 477300-35-9), with molecular formula C36H46N6O2S and molecular weight 626.34 g/mol. IUPAC: N-[[4-(2,6-diethylphenyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1067
Property Insights of F0528-1067
The XLogP value of 5.6656 indicates that F0528-1067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1067. Following Lipinski's Rule of Five, F0528-1067 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1067?
The CAS number of F0528-1067 is 477300-35-9.
What is the molecular formula of F0528-1067?
The molecular formula of F0528-1067 is C36H46N6O2S.
What is the molecular weight of F0528-1067?
The molecular weight of F0528-1067 is 626.34 g/mol.
Where can I buy F0528-1067?
You can request a quote for F0528-1067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1067?
Yes, KEHONG BIO provides custom synthesis services for F0528-1067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.