AO-022/42100080
TL;DR: AO-022/42100080 (CAS 613220-15-8) is a chemical compound with molecular formula C24H27N3O4 and molecular weight 421.20 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-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: AO-022/42100080, 4-[4-(allyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione, (4E)-1-[3-(dimethylamino)propyl]-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-5-(pyridin-3-yl)pyrrolidine-2,3-dione, (4Z)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C24H27N3O4 |
|---|---|
| Molecular Weight | 421.20 g/mol |
| LogP | 3.0198 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.20016 |
| Heavy Atoms | 31 |
| Complexity | 968.07874 |
Chemical Identifiers
| CAS Number | 613220-15-8 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CN=CC=C3 |
Product Overview
AO-022/42100080 (CAS 613220-15-8), with molecular formula C24H27N3O4 and molecular weight 421.20 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100080
Property Insights of AO-022/42100080
The XLogP value of 3.0198 indicates that AO-022/42100080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100080. Following Lipinski's Rule of Five, AO-022/42100080 has 1 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-022/42100080?
The CAS number of AO-022/42100080 is 613220-15-8.
What is the molecular formula of AO-022/42100080?
The molecular formula of AO-022/42100080 is C24H27N3O4.
What is the molecular weight of AO-022/42100080?
The molecular weight of AO-022/42100080 is 421.20 g/mol.
Where can I buy AO-022/42100080?
You can request a quote for AO-022/42100080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100080?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.