F0528-0977
TL;DR: F0528-0977 (CAS 476452-55-8) is a chemical compound with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-0977, N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, (1S,3s)-N-((4-(4-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-{[4-(4-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
| Molecular Formula | C29H32N4O3S |
|---|---|
| Molecular Weight | 516.22 g/mol |
| LogP | 5.0835 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.2195 |
| Heavy Atoms | 37 |
| Complexity | 1252.9562 |
Chemical Identifiers
| CAS Number | 476452-55-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
F0528-0977 (CAS 476452-55-8), with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol. IUPAC: N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-0977
Property Insights of F0528-0977
The XLogP value of 5.0835 indicates that F0528-0977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-0977. Following Lipinski's Rule of Five, F0528-0977 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 F0528-0977?
The CAS number of F0528-0977 is 476452-55-8.
What is the molecular formula of F0528-0977?
The molecular formula of F0528-0977 is C29H32N4O3S.
What is the molecular weight of F0528-0977?
The molecular weight of F0528-0977 is 516.22 g/mol.
Where can I buy F0528-0977?
You can request a quote for F0528-0977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0977?
Yes, KEHONG BIO provides custom synthesis services for F0528-0977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.