AO-022/43454901
TL;DR: AO-022/43454901 (CAS 862199-64-2) is a chemical compound with molecular formula C26H23N5O4 and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide
Also Known As: AO-022/43454901, (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide, N-(5-Cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide, N-(3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)-1,3-benzodioxole-5-carboxamide, N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C26H23N5O4 |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 3.4893 |
| Topological Polar Surface Area | 110.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.17502 |
| Heavy Atoms | 35 |
| Complexity | 1659.4539 |
Chemical Identifiers
| CAS Number | 862199-64-2 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC4=C(C=C3)OCO4)C#N)C(=O)N5C=CC=C(C5=N2)C |
Product Overview
AO-022/43454901 (CAS 862199-64-2), with molecular formula C26H23N5O4 and molecular weight 469.18 g/mol. IUPAC: N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of AO-022/43454901
Property Insights of AO-022/43454901
The XLogP value of 3.4893 indicates that AO-022/43454901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454901. Following Lipinski's Rule of Five, AO-022/43454901 has 0 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-022/43454901?
The CAS number of AO-022/43454901 is 862199-64-2.
What is the molecular formula of AO-022/43454901?
The molecular formula of AO-022/43454901 is C26H23N5O4.
What is the molecular weight of AO-022/43454901?
The molecular weight of AO-022/43454901 is 469.18 g/mol.
Where can I buy AO-022/43454901?
You can request a quote for AO-022/43454901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454901?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.