AO-022/43454769
TL;DR: AO-022/43454769 (CAS 585552-86-9) is a chemical compound with molecular formula C25H23N5O2 and molecular weight 425.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-methylbenzamide
Also Known As: AO-022/43454769, N-(1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)-4-methylbenzamide, N-(7-Butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-methylbenzamide, (Z)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-methylbenzamide, N-[(2Z)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methylbenzamide
| Molecular Formula | C25H23N5O2 |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 3.67892 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.18518 |
| Heavy Atoms | 32 |
| Complexity | 1519.5316 |
Chemical Identifiers
| CAS Number | 585552-86-9 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)C)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454769 (CAS 585552-86-9), with molecular formula C25H23N5O2 and molecular weight 425.19 g/mol. IUPAC: N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-methylbenzamide.
Chemical Property Profile of AO-022/43454769
Property Insights of AO-022/43454769
The XLogP value of 3.67892 indicates that AO-022/43454769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454769. Following Lipinski's Rule of Five, AO-022/43454769 has 0 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 AO-022/43454769?
The CAS number of AO-022/43454769 is 585552-86-9.
What is the molecular formula of AO-022/43454769?
The molecular formula of AO-022/43454769 is C25H23N5O2.
What is the molecular weight of AO-022/43454769?
The molecular weight of AO-022/43454769 is 425.19 g/mol.
Where can I buy AO-022/43454769?
You can request a quote for AO-022/43454769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454769?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.