AO-022/43390100
TL;DR: AO-022/43390100 (CAS 578697-41-3) is a chemical compound with molecular formula C26H33N3O5 and molecular weight 467.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-[2-(diethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/43390100, methyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-(2-diethylaminoethyl)-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H33N3O5 |
|---|---|
| Molecular Weight | 467.24 g/mol |
| LogP | 3.49006 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.24203 |
| Heavy Atoms | 34 |
| Complexity | 1126.05 |
Chemical Identifiers
| CAS Number | 578697-41-3 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)C |
Product Overview
AO-022/43390100 (CAS 578697-41-3), with molecular formula C26H33N3O5 and molecular weight 467.24 g/mol. IUPAC: methyl 4-[(E)-[1-[2-(diethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/43390100
Property Insights of AO-022/43390100
The XLogP value of 3.49006 indicates that AO-022/43390100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43390100. Following Lipinski's Rule of Five, AO-022/43390100 has 2 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-022/43390100?
The CAS number of AO-022/43390100 is 578697-41-3.
What is the molecular formula of AO-022/43390100?
The molecular formula of AO-022/43390100 is C26H33N3O5.
What is the molecular weight of AO-022/43390100?
The molecular weight of AO-022/43390100 is 467.24 g/mol.
Where can I buy AO-022/43390100?
You can request a quote for AO-022/43390100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43390100?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43390100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.