F0726-0079
TL;DR: F0726-0079 (CAS 466677-50-9) is a chemical compound with molecular formula C20H22BrN3O4S2 and molecular weight 511.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazine-1-carboxylate
Also Known As: F0726-0079, (E)-ethyl 4-(3-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)piperazine-1-carboxylate, ETHYL 4-{3-[(5E)-5-[(3-BROMOPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOYL}PIPERAZINE-1-CARBOXYLATE, ethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazine-1-carboxylate, ethyl 4-(3-{5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}p ropanoyl)piperazinecarboxylate
| Molecular Formula | C20H22BrN3O4S2 |
|---|---|
| Molecular Weight | 511.02 g/mol |
| LogP | 3.3411 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.0235 |
| Heavy Atoms | 30 |
| Complexity | 884.5575 |
Chemical Identifiers
| CAS Number | 466677-50-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)/C(=C\C3=CC(=CC=C3)Br)/SC2=S |
Product Overview
F0726-0079 (CAS 466677-50-9), with molecular formula C20H22BrN3O4S2 and molecular weight 511.02 g/mol. IUPAC: ethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazine-1-carboxylate.
Chemical Property Profile of F0726-0079
Property Insights of F0726-0079
The XLogP value of 3.3411 indicates that F0726-0079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F0726-0079. Following Lipinski's Rule of Five, F0726-0079 has 0 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 F0726-0079?
The CAS number of F0726-0079 is 466677-50-9.
What is the molecular formula of F0726-0079?
The molecular formula of F0726-0079 is C20H22BrN3O4S2.
What is the molecular weight of F0726-0079?
The molecular weight of F0726-0079 is 511.02 g/mol.
Where can I buy F0726-0079?
You can request a quote for F0726-0079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0726-0079?
Yes, KEHONG BIO provides custom synthesis services for F0726-0079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.