AO-022/42398533
TL;DR: AO-022/42398533 (CAS 585559-00-8) is a chemical compound with molecular formula C24H28ClN3O5 and molecular weight 473.17175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(E)-[2-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/42398533, methyl 4-({1-[3-(dimethylamino)propyl]-2-(4-chlorophenyl)-4-hydroxy-5-oxo(3-py rrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-({2-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-(2-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[2-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Technical Specifications
| Molecular Formula | C24H28ClN3O5 |
| Molecular Weight | 473.17175 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.17175 Da |
| Heavy Atoms | 33 |
| Complexity | 793.0 |
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)Cl)/O)C)C(=O)OC |
| InChIKey | UILRBKNUCFGAAZ-DYTRJAOYSA-N |
Chemical Property Profile of AO-022/42398533
Property Insights of AO-022/42398533
The XLogP value of 3.8 indicates that AO-022/42398533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42398533. Following Lipinski's Rule of Five, AO-022/42398533 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AO-022/42398533?
The CAS number of AO-022/42398533 is 585559-00-8.
What is the molecular formula of AO-022/42398533?
The molecular formula of AO-022/42398533 is C24H28ClN3O5.
What is the molecular weight of AO-022/42398533?
The molecular weight of AO-022/42398533 is 473.17175 g/mol.
Where can I buy AO-022/42398533?
You can request a quote for AO-022/42398533 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-022/42398533?
Yes, CoreyChem provides custom synthesis services for AO-022/42398533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.