AO-022/43454404
TL;DR: AO-022/43454404 (CAS 848686-70-4) is a chemical compound with molecular formula C25H22ClN5O3 and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[5-cyano-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]benzamide
Also Known As: AO-022/43454404, (E)-4-chloro-N-(3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 4-chloro-N-[3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]benzamide, 4-Chloro-N-[5-cyano-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]benzamide, 4-chloro-N-[(2E)-3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C25H22ClN5O3 |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 3.6504 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1411 |
| Heavy Atoms | 34 |
| Complexity | 1563.064 |
Chemical Identifiers
| CAS Number | 848686-70-4 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)Cl)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454404 (CAS 848686-70-4), with molecular formula C25H22ClN5O3 and molecular weight 475.14 g/mol. IUPAC: 4-chloro-N-[5-cyano-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]benzamide.
Chemical Property Profile of AO-022/43454404
Property Insights of AO-022/43454404
The XLogP value of 3.6504 indicates that AO-022/43454404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454404. Following Lipinski's Rule of Five, AO-022/43454404 has 0 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-022/43454404?
The CAS number of AO-022/43454404 is 848686-70-4.
What is the molecular formula of AO-022/43454404?
The molecular formula of AO-022/43454404 is C25H22ClN5O3.
What is the molecular weight of AO-022/43454404?
The molecular weight of AO-022/43454404 is 475.14 g/mol.
Where can I buy AO-022/43454404?
You can request a quote for AO-022/43454404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454404?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.