AO-022/42045187
TL;DR: AO-022/42045187 (CAS 620139-72-2) is a chemical compound with molecular formula C25H27ClN2O4 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42045187, 5-[3-(allyloxy)phenyl]-4-(4-chlorobenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(3-prop-2 -enyloxyphenyl)-3-pyrrolin-2-one, 5-(3-(allyloxy)phenyl)-4-(4-chlorobenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H27ClN2O4 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 4.2782 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.16592 |
| Heavy Atoms | 32 |
| Complexity | 1030.4923 |
Chemical Identifiers
| CAS Number | 620139-72-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC(=CC=C3)OCC=C |
Product Overview
AO-022/42045187 (CAS 620139-72-2), with molecular formula C25H27ClN2O4 and molecular weight 454.17 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42045187
Property Insights of AO-022/42045187
The XLogP value of 4.2782 indicates that AO-022/42045187 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-022/42045187. Following Lipinski's Rule of Five, AO-022/42045187 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-022/42045187?
The CAS number of AO-022/42045187 is 620139-72-2.
What is the molecular formula of AO-022/42045187?
The molecular formula of AO-022/42045187 is C25H27ClN2O4.
What is the molecular weight of AO-022/42045187?
The molecular weight of AO-022/42045187 is 454.17 g/mol.
Where can I buy AO-022/42045187?
You can request a quote for AO-022/42045187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42045187?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42045187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.