AO-022/43454414
TL;DR: AO-022/43454414 (CAS 848727-38-8) is a chemical compound with molecular formula C23H18ClN5O2 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(5-cyano-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide
Also Known As: AO-022/43454414, (E)-3-chloro-N-(3-cyano-10-methyl-5-oxo-1-propyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 3-chloro-N-(3-cyano-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)benzamide, 3-Chloro-N-(5-cyano-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide, 3-chloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C23H18ClN5O2 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 3.6338 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.1149 |
| Heavy Atoms | 31 |
| Complexity | 1525.7963 |
Chemical Identifiers
| CAS Number | 848727-38-8 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC=C3)Cl)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454414 (CAS 848727-38-8), with molecular formula C23H18ClN5O2 and molecular weight 431.11 g/mol. IUPAC: 3-chloro-N-(5-cyano-11-methyl-2-oxo-7-propyl-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-022/43454414
Property Insights of AO-022/43454414
The XLogP value of 3.6338 indicates that AO-022/43454414 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-022/43454414. Following Lipinski's Rule of Five, AO-022/43454414 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-022/43454414?
The CAS number of AO-022/43454414 is 848727-38-8.
What is the molecular formula of AO-022/43454414?
The molecular formula of AO-022/43454414 is C23H18ClN5O2.
What is the molecular weight of AO-022/43454414?
The molecular weight of AO-022/43454414 is 431.11 g/mol.
Where can I buy AO-022/43454414?
You can request a quote for AO-022/43454414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454414?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.