AO-022/43454943
TL;DR: AO-022/43454943 (CAS 844662-41-5) is a chemical compound with molecular formula C25H26ClN5O3 and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-7-(3-ethoxypropyl)-6-imino-11-methyl-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-022/43454943, N-[(2-Chlorophenyl)methyl]-7-(3-ethoxypropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-(2-chlorobenzyl)-1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(2-chlorobenzyl)-1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, N-(2-chlorobenzyl)-1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H26ClN5O3 |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 3.44709 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.17242 |
| Heavy Atoms | 34 |
| Complexity | 1492.1803 |
Chemical Identifiers
| CAS Number | 844662-41-5 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CC=C3Cl)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454943 (CAS 844662-41-5), with molecular formula C25H26ClN5O3 and molecular weight 479.17 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-7-(3-ethoxypropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AO-022/43454943
Property Insights of AO-022/43454943
The XLogP value of 3.44709 indicates that AO-022/43454943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454943. Following Lipinski's Rule of Five, AO-022/43454943 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
Frequently Asked Questions
What is the CAS number of AO-022/43454943?
The CAS number of AO-022/43454943 is 844662-41-5.
What is the molecular formula of AO-022/43454943?
The molecular formula of AO-022/43454943 is C25H26ClN5O3.
What is the molecular weight of AO-022/43454943?
The molecular weight of AO-022/43454943 is 479.17 g/mol.
Where can I buy AO-022/43454943?
You can request a quote for AO-022/43454943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454943?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.