AO-022/43389937
TL;DR: AO-022/43389937 (CAS 862194-73-8) is a chemical compound with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/43389937, ethyl 4-{[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[1-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C25H31N3O5 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 3.09996 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.22638 |
| Heavy Atoms | 33 |
| Complexity | 1111.8074 |
Chemical Identifiers
| CAS Number | 862194-73-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C)/O)C |
Product Overview
AO-022/43389937 (CAS 862194-73-8), with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol. IUPAC: ethyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/43389937
Property Insights of AO-022/43389937
The XLogP value of 3.09996 indicates that AO-022/43389937 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-022/43389937. Following Lipinski's Rule of Five, AO-022/43389937 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-022/43389937?
The CAS number of AO-022/43389937 is 862194-73-8.
What is the molecular formula of AO-022/43389937?
The molecular formula of AO-022/43389937 is C25H31N3O5.
What is the molecular weight of AO-022/43389937?
The molecular weight of AO-022/43389937 is 453.23 g/mol.
Where can I buy AO-022/43389937?
You can request a quote for AO-022/43389937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43389937?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43389937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.