AQ-149/40116979
TL;DR: AQ-149/40116979 (CAS 296771-66-9) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-benzyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
Also Known As: AQ-149/40116979, 4-acetyl-1-benzyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-1-benzyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one, 3-acetyl-1-benzyl-2-(4-dimethylaminophenyl)-4-hydroxy-2H-pyrrol-5-one, Cambridge id 6208417
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.2372 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 854.5847 |
Chemical Identifiers
| CAS Number | 296771-66-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)N(C)C)CC3=CC=CC=C3)O |
Product Overview
AQ-149/40116979 (CAS 296771-66-9), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: 3-acetyl-1-benzyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of AQ-149/40116979
Property Insights of AQ-149/40116979
The XLogP value of 3.2372 indicates that AQ-149/40116979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/40116979. Following Lipinski's Rule of Five, AQ-149/40116979 has 1 hydrogen bond donor(s) and 4 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 AQ-149/40116979?
The CAS number of AQ-149/40116979 is 296771-66-9.
What is the molecular formula of AQ-149/40116979?
The molecular formula of AQ-149/40116979 is C21H22N2O3.
What is the molecular weight of AQ-149/40116979?
The molecular weight of AQ-149/40116979 is 350.16 g/mol.
Where can I buy AQ-149/40116979?
You can request a quote for AQ-149/40116979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-149/40116979?
Yes, KEHONG BIO provides custom synthesis services for AQ-149/40116979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.