AO-022/42100102
TL;DR: AO-022/42100102 (CAS 613220-49-8) is a chemical compound with molecular formula C26H32N2O5 and molecular weight 452.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42100102, 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione, (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione, 1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H32N2O5 |
|---|---|
| Molecular Weight | 452.23 g/mol |
| LogP | 3.77572 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.2311 |
| Heavy Atoms | 33 |
| Complexity | 1043.1478 |
Chemical Identifiers
| CAS Number | 613220-49-8 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C(=O)N2CCN(C)C)OC |
Product Overview
AO-022/42100102 (CAS 613220-49-8), with molecular formula C26H32N2O5 and molecular weight 452.23 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100102
Property Insights of AO-022/42100102
The XLogP value of 3.77572 indicates that AO-022/42100102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100102. Following Lipinski's Rule of Five, AO-022/42100102 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-022/42100102?
The CAS number of AO-022/42100102 is 613220-49-8.
What is the molecular formula of AO-022/42100102?
The molecular formula of AO-022/42100102 is C26H32N2O5.
What is the molecular weight of AO-022/42100102?
The molecular weight of AO-022/42100102 is 452.23 g/mol.
Where can I buy AO-022/42100102?
You can request a quote for AO-022/42100102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100102?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.