AO-022/43454285
TL;DR: AO-022/43454285 (CAS 848213-80-9) is a chemical compound with molecular formula C24H28ClN3O5 and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/43454285, ethyl 4-({2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-(2-(4-chlorophenyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C24H28ClN3O5 |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 3.44494 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.17175 |
| Heavy Atoms | 33 |
| Complexity | 1117.8646 |
Chemical Identifiers
| CAS Number | 848213-80-9 |
|---|---|
| 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)Cl)/O)C |
Product Overview
AO-022/43454285 (CAS 848213-80-9), with molecular formula C24H28ClN3O5 and molecular weight 473.17 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/43454285
Property Insights of AO-022/43454285
The XLogP value of 3.44494 indicates that AO-022/43454285 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-022/43454285. Following Lipinski's Rule of Five, AO-022/43454285 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-022/43454285?
The CAS number of AO-022/43454285 is 848213-80-9.
What is the molecular formula of AO-022/43454285?
The molecular formula of AO-022/43454285 is C24H28ClN3O5.
What is the molecular weight of AO-022/43454285?
The molecular weight of AO-022/43454285 is 473.17 g/mol.
Where can I buy AO-022/43454285?
You can request a quote for AO-022/43454285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454285?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.