AO-022/43453066
TL;DR: AO-022/43453066 (CAS 577770-93-5) is a chemical compound with molecular formula C26H20FN5O2 and molecular weight 453.1601 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-7-[(4-fluorophenyl)methyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AO-022/43453066, N-benzyl-1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-benzyl-1-(4-fluorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, N-benzyl-1-(4-fluorobenzyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-benzyl-7-[(4-fluorophenyl)methyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Technical Specifications
| Molecular Formula | C26H20FN5O2 |
| Molecular Weight | 453.1601 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.1601 Da |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=C(C=C5)F |
| InChIKey | AUTXIMNTEGFRKN-UHFFFAOYSA-N |
Chemical Property Profile of AO-022/43453066
Property Insights of AO-022/43453066
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453066. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453066. Following Lipinski's Rule of Five, AO-022/43453066 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AO-022/43453066?
The CAS number of AO-022/43453066 is 577770-93-5.
What is the molecular formula of AO-022/43453066?
The molecular formula of AO-022/43453066 is C26H20FN5O2.
What is the molecular weight of AO-022/43453066?
The molecular weight of AO-022/43453066 is 453.1601 g/mol.
Where can I buy AO-022/43453066?
You can request a quote for AO-022/43453066 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-022/43453066?
Yes, CoreyChem provides custom synthesis services for AO-022/43453066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.