AO-081/41228068
TL;DR: AO-081/41228068 (CAS 5556-40-1) is a chemical compound with molecular formula C26H21BrClN3O4S2 and molecular weight 616.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
Also Known As: AO-081/41228068, 5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione, 5-({4-Bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C26H21BrClN3O4S2 |
|---|---|
| Molecular Weight | 616.98 g/mol |
| LogP | 6.2318 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 616.98456 |
| Heavy Atoms | 37 |
| Complexity | 1355.9011 |
Chemical Identifiers
| CAS Number | 5556-40-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C(=CC4=CC(=C(O4)SC5=CC=C(C=C5)Cl)Br)SC3=O |
Product Overview
AO-081/41228068 (CAS 5556-40-1), with molecular formula C26H21BrClN3O4S2 and molecular weight 616.98 g/mol. IUPAC: 5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AO-081/41228068
Property Insights of AO-081/41228068
The XLogP value of 6.2318 indicates that AO-081/41228068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41228068. Following Lipinski's Rule of Five, AO-081/41228068 has 0 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 AO-081/41228068?
The CAS number of AO-081/41228068 is 5556-40-1.
What is the molecular formula of AO-081/41228068?
The molecular formula of AO-081/41228068 is C26H21BrClN3O4S2.
What is the molecular weight of AO-081/41228068?
The molecular weight of AO-081/41228068 is 616.98 g/mol.
Where can I buy AO-081/41228068?
You can request a quote for AO-081/41228068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41228068?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41228068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.