AO-022/42100105
TL;DR: AO-022/42100105 (CAS 613220-56-7) is a chemical compound with molecular formula C26H24N2O6 and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42100105, 5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H24N2O6 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 3.7293 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.16342 |
| Heavy Atoms | 34 |
| Complexity | 1255.1555 |
Chemical Identifiers
| CAS Number | 613220-56-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2/C(=C(/C3=CC(=CC=C3)OC)\O)/C(=O)C(=O)N2CC4=CN=CC=C4 |
Product Overview
AO-022/42100105 (CAS 613220-56-7), with molecular formula C26H24N2O6 and molecular weight 460.16 g/mol. IUPAC: (4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100105
Property Insights of AO-022/42100105
The XLogP value of 3.7293 indicates that AO-022/42100105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100105. Following Lipinski's Rule of Five, AO-022/42100105 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-022/42100105?
The CAS number of AO-022/42100105 is 613220-56-7.
What is the molecular formula of AO-022/42100105?
The molecular formula of AO-022/42100105 is C26H24N2O6.
What is the molecular weight of AO-022/42100105?
The molecular weight of AO-022/42100105 is 460.16 g/mol.
Where can I buy AO-022/42100105?
You can request a quote for AO-022/42100105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100105?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.