F0528-0838
TL;DR: F0528-0838 (CAS 476451-20-4) is a chemical compound with molecular formula C21H21BrN4O4S and molecular weight 504.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-bromophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0528-0838, ethyl 2-((4-(4-bromophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[4-(4-bromophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[4-(4-bromophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H21BrN4O4S |
|---|---|
| Molecular Weight | 504.05 g/mol |
| LogP | 3.6236 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.0467 |
| Heavy Atoms | 31 |
| Complexity | 1038.5382 |
Chemical Identifiers
| CAS Number | 476451-20-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
F0528-0838 (CAS 476451-20-4), with molecular formula C21H21BrN4O4S and molecular weight 504.05 g/mol. IUPAC: ethyl 2-[[4-(4-bromophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0528-0838
Property Insights of F0528-0838
The XLogP value of 3.6236 indicates that F0528-0838 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-0838. Following Lipinski's Rule of Five, F0528-0838 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-0838?
The CAS number of F0528-0838 is 476451-20-4.
What is the molecular formula of F0528-0838?
The molecular formula of F0528-0838 is C21H21BrN4O4S.
What is the molecular weight of F0528-0838?
The molecular weight of F0528-0838 is 504.05 g/mol.
Where can I buy F0528-0838?
You can request a quote for F0528-0838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0838?
Yes, KEHONG BIO provides custom synthesis services for F0528-0838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.