C21H21BrFN3OS
TL;DR: C21H21BrFN3OS (CAS 487038-79-9) is a chemical compound with molecular formula C21H21BrFN3OS and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
Also Known As: (Z)-2-((E)-(4-bromobenzylidene)hydrazono)-5-butyl-3-(4-fluorobenzyl)thiazolidin-4-one, (2Z)-2-[(2E)-(4-bromobenzylidene)hydrazinylidene]-5-butyl-3-(4-fluorobenzyl)-1,3-thiazolidin-4-one
| Molecular Formula | C21H21BrFN3OS |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 5.6125 |
| Topological Polar Surface Area | 45.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.05728 |
| Heavy Atoms | 28 |
| Complexity | 868.22437 |
Chemical Identifiers
| CAS Number | 487038-79-9 |
|---|---|
| SMILES | CCCCC1C(=O)N(/C(=N/N=C/C2=CC=C(C=C2)Br)/S1)CC3=CC=C(C=C3)F |
Product Overview
C21H21BrFN3OS (CAS 487038-79-9), with molecular formula C21H21BrFN3OS and molecular weight 461.06 g/mol. IUPAC: (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
Chemical Property Profile of C21H21BrFN3OS
Property Insights of C21H21BrFN3OS
The XLogP value of 5.6125 indicates that C21H21BrFN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.03 Ų, C21H21BrFN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H21BrFN3OS has 0 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 C21H21BrFN3OS?
The CAS number of C21H21BrFN3OS is 487038-79-9.
What is the molecular formula of C21H21BrFN3OS?
The molecular formula of C21H21BrFN3OS is C21H21BrFN3OS.
What is the molecular weight of C21H21BrFN3OS?
The molecular weight of C21H21BrFN3OS is 461.06 g/mol.
Where can I buy C21H21BrFN3OS?
You can request a quote for C21H21BrFN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H21BrFN3OS?
Yes, KEHONG BIO provides custom synthesis services for C21H21BrFN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.