AO-022/41784289
TL;DR: AO-022/41784289 (CAS 608498-28-8) is a chemical compound with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: AO-022/41784289, methyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[1-[3-(dimethylamino)propyl]-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-{1-[3-(dimethylamino)propyl]-4-hydroxy-3-[(3-methoxyphenyl)carbonyl]- 5-oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C25H28N2O6 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 2.8552 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.19473 |
| Heavy Atoms | 33 |
| Complexity | 1074.5597 |
Chemical Identifiers
| CAS Number | 608498-28-8 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC(=CC=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
AO-022/41784289 (CAS 608498-28-8), with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol. IUPAC: methyl 4-[(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of AO-022/41784289
Property Insights of AO-022/41784289
The XLogP value of 2.8552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/41784289. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41784289. Following Lipinski's Rule of Five, AO-022/41784289 has 1 hydrogen bond donor(s) and 7 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-022/41784289?
The CAS number of AO-022/41784289 is 608498-28-8.
What is the molecular formula of AO-022/41784289?
The molecular formula of AO-022/41784289 is C25H28N2O6.
What is the molecular weight of AO-022/41784289?
The molecular weight of AO-022/41784289 is 452.19 g/mol.
Where can I buy AO-022/41784289?
You can request a quote for AO-022/41784289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41784289?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41784289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.