F0528-1839
TL;DR: F0528-1839 (CAS 476441-95-9) is a chemical compound with molecular formula C23H29BrN4OS and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1839, N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, (1S,3s)-N-((4-(4-bromophenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-{[4-(4-bromophenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
| Molecular Formula | C23H29BrN4OS |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 5.3645 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.12454 |
| Heavy Atoms | 30 |
| Complexity | 890.5001 |
Chemical Identifiers
| CAS Number | 476441-95-9 |
|---|---|
| SMILES | CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-1839 (CAS 476441-95-9), with molecular formula C23H29BrN4OS and molecular weight 488.12 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1839
Property Insights of F0528-1839
The XLogP value of 5.3645 indicates that F0528-1839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0528-1839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0528-1839 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1839?
The CAS number of F0528-1839 is 476441-95-9.
What is the molecular formula of F0528-1839?
The molecular formula of F0528-1839 is C23H29BrN4OS.
What is the molecular weight of F0528-1839?
The molecular weight of F0528-1839 is 488.12 g/mol.
Where can I buy F0528-1839?
You can request a quote for F0528-1839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1839?
Yes, KEHONG BIO provides custom synthesis services for F0528-1839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.