AO-022/41702878
TL;DR: AO-022/41702878 (CAS 500274-06-6) is a chemical compound with molecular formula C27H33NO5 and molecular weight 451.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-methoxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/41702878, 3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-(3-methoxypropyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-methoxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione, (4E)-4-{hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(3-methoxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione, 3-hydroxy-1-(3-methoxypropyl)-4-{[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C27H33NO5 |
|---|---|
| Molecular Weight | 451.24 g/mol |
| LogP | 4.79644 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.23587 |
| Heavy Atoms | 33 |
| Complexity | 1038.9773 |
Chemical Identifiers
| CAS Number | 500274-06-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC(C)C)C)\O)/C(=O)C(=O)N2CCCOC |
Product Overview
AO-022/41702878 (CAS 500274-06-6), with molecular formula C27H33NO5 and molecular weight 451.24 g/mol. IUPAC: (4E)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-methoxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/41702878
Property Insights of AO-022/41702878
The XLogP value of 4.79644 indicates that AO-022/41702878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41702878. Following Lipinski's Rule of Five, AO-022/41702878 has 1 hydrogen bond donor(s) and 5 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-022/41702878?
The CAS number of AO-022/41702878 is 500274-06-6.
What is the molecular formula of AO-022/41702878?
The molecular formula of AO-022/41702878 is C27H33NO5.
What is the molecular weight of AO-022/41702878?
The molecular weight of AO-022/41702878 is 451.24 g/mol.
Where can I buy AO-022/41702878?
You can request a quote for AO-022/41702878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41702878?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41702878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.