AO-022/42398621
TL;DR: AO-022/42398621 (CAS 636992-13-7) is a chemical compound with molecular formula C28H36N2O4 and molecular weight 464.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: AO-022/42398621, 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-tert-butylphenyl)-1-(2-diethylaminoethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, (4E)-5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, 1-[2-(diethylamino)ethyl]-5-[4-(tert-butyl)phenyl]-3-hydroxy-4-[(4-methoxyphen yl)carbonyl]-3-pyrrolin-2-one
| Molecular Formula | C28H36N2O4 |
|---|---|
| Molecular Weight | 464.27 g/mol |
| LogP | 4.7562 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.26752 |
| Heavy Atoms | 34 |
| Complexity | 1045.3088 |
Chemical Identifiers
| CAS Number | 636992-13-7 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AO-022/42398621 (CAS 636992-13-7), with molecular formula C28H36N2O4 and molecular weight 464.27 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42398621
Property Insights of AO-022/42398621
The XLogP value of 4.7562 indicates that AO-022/42398621 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-022/42398621. Following Lipinski's Rule of Five, AO-022/42398621 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-022/42398621?
The CAS number of AO-022/42398621 is 636992-13-7.
What is the molecular formula of AO-022/42398621?
The molecular formula of AO-022/42398621 is C28H36N2O4.
What is the molecular weight of AO-022/42398621?
The molecular weight of AO-022/42398621 is 464.27 g/mol.
Where can I buy AO-022/42398621?
You can request a quote for AO-022/42398621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42398621?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42398621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.