AO-022/42100081
TL;DR: AO-022/42100081 (CAS 613220-16-9) is a chemical compound with molecular formula C26H30N2O4 and molecular weight 434.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42100081, 4-[4-(allyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-methylphenyl)-4-[(4-prop-2-enyloxyp henyl)carbonyl]-3-pyrrolin-2-one, 4-(4-(allyloxy)benzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(p-tolyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H30N2O4 |
|---|---|
| Molecular Weight | 434.22 g/mol |
| LogP | 3.93322 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.22055 |
| Heavy Atoms | 32 |
| Complexity | 1007.1273 |
Chemical Identifiers
| CAS Number | 613220-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C(=O)N2CCCN(C)C |
Product Overview
AO-022/42100081 (CAS 613220-16-9), with molecular formula C26H30N2O4 and molecular weight 434.22 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100081
Property Insights of AO-022/42100081
The XLogP value of 3.93322 indicates that AO-022/42100081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100081. Following Lipinski's Rule of Five, AO-022/42100081 has 1 hydrogen bond donor(s) and 5 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-022/42100081?
The CAS number of AO-022/42100081 is 613220-16-9.
What is the molecular formula of AO-022/42100081?
The molecular formula of AO-022/42100081 is C26H30N2O4.
What is the molecular weight of AO-022/42100081?
The molecular weight of AO-022/42100081 is 434.22 g/mol.
Where can I buy AO-022/42100081?
You can request a quote for AO-022/42100081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100081?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.