AO-022/42100025
TL;DR: AO-022/42100025 (CAS 615271-45-9) is a chemical compound with molecular formula C27H32N2O7 and molecular weight 496.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42100025, 4-(3,4-dimethoxybenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione, 4-(3,4-dimethoxybenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one, 4-[(3,4-dimethoxyphenyl)carbonyl]-5-(4-ethoxyphenyl)-3-hydroxy-1-(2-morpholin- 4-ylethyl)-3-pyrrolin-2-one
| Molecular Formula | C27H32N2O7 |
|---|---|
| Molecular Weight | 496.22 g/mol |
| LogP | 2.8564 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.22095 |
| Heavy Atoms | 36 |
| Complexity | 1123.4421 |
Chemical Identifiers
| CAS Number | 615271-45-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CCN4CCOCC4 |
Product Overview
AO-022/42100025 (CAS 615271-45-9), with molecular formula C27H32N2O7 and molecular weight 496.22 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100025
Property Insights of AO-022/42100025
The XLogP value of 2.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/42100025. The TPSA of 97.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100025. Following Lipinski's Rule of Five, AO-022/42100025 has 1 hydrogen bond donor(s) and 8 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-022/42100025?
The CAS number of AO-022/42100025 is 615271-45-9.
What is the molecular formula of AO-022/42100025?
The molecular formula of AO-022/42100025 is C27H32N2O7.
What is the molecular weight of AO-022/42100025?
The molecular weight of AO-022/42100025 is 496.22 g/mol.
Where can I buy AO-022/42100025?
You can request a quote for AO-022/42100025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100025?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.