AO-022/41649657
TL;DR: AO-022/41649657 (CAS 514191-68-5) is a chemical compound with molecular formula C22H12F2N2O3S2 and molecular weight 454.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AO-022/41649657, 1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione, 1-(6-fluorobenzo[d]thiazol-2-yl)-5-(3-fluorophenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H12F2N2O3S2 |
|---|---|
| Molecular Weight | 454.03 g/mol |
| LogP | 5.4189 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.02573 |
| Heavy Atoms | 31 |
| Complexity | 1378.6874 |
Chemical Identifiers
| CAS Number | 514191-68-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5 |
Product Overview
AO-022/41649657 (CAS 514191-68-5), with molecular formula C22H12F2N2O3S2 and molecular weight 454.03 g/mol. IUPAC: 1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AO-022/41649657
Property Insights of AO-022/41649657
The XLogP value of 5.4189 indicates that AO-022/41649657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41649657. Following Lipinski's Rule of Five, AO-022/41649657 has 1 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 AO-022/41649657?
The CAS number of AO-022/41649657 is 514191-68-5.
What is the molecular formula of AO-022/41649657?
The molecular formula of AO-022/41649657 is C22H12F2N2O3S2.
What is the molecular weight of AO-022/41649657?
The molecular weight of AO-022/41649657 is 454.03 g/mol.
Where can I buy AO-022/41649657?
You can request a quote for AO-022/41649657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41649657?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41649657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.