AO-022/42019762
TL;DR: AO-022/42019762 (CAS 618876-79-2) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42019762, 4-[4-(allyloxy)benzoyl]-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, (4E)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(5-methyl-1,2-oxazol-3-yl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione, 3-hydroxy-5-[4-(methylethyl)phenyl]-1-(5-methylisoxazol-3-yl)-4-[(4-prop-2-eny loxyphenyl)carbonyl]-3-pyrrolin-2-one
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.29752 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1252.9324 |
Chemical Identifiers
| CAS Number | 618876-79-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)C |
Product Overview
AO-022/42019762 (CAS 618876-79-2), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42019762
Property Insights of AO-022/42019762
The XLogP value of 5.29752 indicates that AO-022/42019762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42019762. Following Lipinski's Rule of Five, AO-022/42019762 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-022/42019762?
The CAS number of AO-022/42019762 is 618876-79-2.
What is the molecular formula of AO-022/42019762?
The molecular formula of AO-022/42019762 is C27H26N2O5.
What is the molecular weight of AO-022/42019762?
The molecular weight of AO-022/42019762 is 458.18 g/mol.
Where can I buy AO-022/42019762?
You can request a quote for AO-022/42019762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42019762?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42019762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.