AO-022/43390074
TL;DR: AO-022/43390074 (CAS 842964-37-8) is a chemical compound with molecular formula C24H28FN3O5 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/43390074, methyl 4-({1-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-4-hydroxy-5-oxo(3-py rrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(1-(3-(dimethylamino)propyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[1-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C24H28FN3O5 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 2.93064 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.2013 |
| Heavy Atoms | 33 |
| Complexity | 1135.1146 |
Chemical Identifiers
| CAS Number | 842964-37-8 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=CC=C3)F)/O)C)C(=O)OC |
Product Overview
AO-022/43390074 (CAS 842964-37-8), with molecular formula C24H28FN3O5 and molecular weight 457.20 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/43390074
Property Insights of AO-022/43390074
The XLogP value of 2.93064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43390074. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43390074. Following Lipinski's Rule of Five, AO-022/43390074 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-022/43390074?
The CAS number of AO-022/43390074 is 842964-37-8.
What is the molecular formula of AO-022/43390074?
The molecular formula of AO-022/43390074 is C24H28FN3O5.
What is the molecular weight of AO-022/43390074?
The molecular weight of AO-022/43390074 is 457.20 g/mol.
Where can I buy AO-022/43390074?
You can request a quote for AO-022/43390074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43390074?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43390074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.