AO-022/42100292
TL;DR: AO-022/42100292 (CAS 565166-87-2) is a chemical compound with molecular formula C23H17ClN2O4S and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-chlorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: AO-022/42100292, 4-[4-(allyloxy)benzoyl]-5-(3-chlorophenyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 4-(4-(allyloxy)benzoyl)-5-(3-chlorophenyl)-3-hydroxy-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-5-(3-chlorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione, (4E)-5-(3-chlorophenyl)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C23H17ClN2O4S |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 4.9876 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.05975 |
| Heavy Atoms | 31 |
| Complexity | 1172.5519 |
Chemical Identifiers
| CAS Number | 565166-87-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CS3)C4=CC(=CC=C4)Cl)/O |
Product Overview
AO-022/42100292 (CAS 565166-87-2), with molecular formula C23H17ClN2O4S and molecular weight 452.06 g/mol. IUPAC: (4E)-5-(3-chlorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100292
Property Insights of AO-022/42100292
The XLogP value of 4.9876 indicates that AO-022/42100292 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-022/42100292. Following Lipinski's Rule of Five, AO-022/42100292 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/42100292?
The CAS number of AO-022/42100292 is 565166-87-2.
What is the molecular formula of AO-022/42100292?
The molecular formula of AO-022/42100292 is C23H17ClN2O4S.
What is the molecular weight of AO-022/42100292?
The molecular weight of AO-022/42100292 is 452.06 g/mol.
Where can I buy AO-022/42100292?
You can request a quote for AO-022/42100292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100292?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.