F0528-0645
TL;DR: F0528-0645 (CAS 476449-28-2) is a chemical compound with molecular formula C22H25BrN4O2S and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: F0528-0645, N-((5-((4-bromobenzyl)thio)-4-butyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-butyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide, N-({5-[(p-bromophenyl)methylthio]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)p-anisamide
| Molecular Formula | C22H25BrN4O2S |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 5.0716 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.08817 |
| Heavy Atoms | 30 |
| Complexity | 958.2738 |
Chemical Identifiers
| CAS Number | 476449-28-2 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
F0528-0645 (CAS 476449-28-2), with molecular formula C22H25BrN4O2S and molecular weight 488.09 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of F0528-0645
Property Insights of F0528-0645
The XLogP value of 5.0716 indicates that F0528-0645 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 F0528-0645. Following Lipinski's Rule of Five, F0528-0645 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-0645?
The CAS number of F0528-0645 is 476449-28-2.
What is the molecular formula of F0528-0645?
The molecular formula of F0528-0645 is C22H25BrN4O2S.
What is the molecular weight of F0528-0645?
The molecular weight of F0528-0645 is 488.09 g/mol.
Where can I buy F0528-0645?
You can request a quote for F0528-0645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0645?
Yes, KEHONG BIO provides custom synthesis services for F0528-0645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.