AO-022/41649676
TL;DR: AO-022/41649676 (CAS 514191-88-9) is a chemical compound with molecular formula C24H17FN2O4S2 and molecular weight 480.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AO-022/41649676, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione, 1-(6-ethoxybenzo[d]thiazol-2-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C24H17FN2O4S2 |
|---|---|
| Molecular Weight | 480.06 g/mol |
| LogP | 5.6785 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.06137 |
| Heavy Atoms | 33 |
| Complexity | 1411.1255 |
Chemical Identifiers
| CAS Number | 514191-88-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC=CC=C5F |
Product Overview
AO-022/41649676 (CAS 514191-88-9), with molecular formula C24H17FN2O4S2 and molecular weight 480.06 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AO-022/41649676
Property Insights of AO-022/41649676
The XLogP value of 5.6785 indicates that AO-022/41649676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41649676. Following Lipinski's Rule of Five, AO-022/41649676 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 AO-022/41649676?
The CAS number of AO-022/41649676 is 514191-88-9.
What is the molecular formula of AO-022/41649676?
The molecular formula of AO-022/41649676 is C24H17FN2O4S2.
What is the molecular weight of AO-022/41649676?
The molecular weight of AO-022/41649676 is 480.06 g/mol.
Where can I buy AO-022/41649676?
You can request a quote for AO-022/41649676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41649676?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41649676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.