AO-022/43454627
TL;DR: AO-022/43454627 (CAS 848918-96-7) is a chemical compound with molecular formula C23H20N6O3 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-7-(3-ethoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]pyridine-3-carboxamide
Also Known As: AO-022/43454627, (E)-N-(3-cyano-1-(3-ethoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)nicotinamide, N-[5-Cyano-7-(3-ethoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]pyridine-3-carboxamide, N-[(2E)-3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-3-carboxamide, N-[3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]nicotinamide
| Molecular Formula | C23H20N6O3 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 2.08358 |
| Topological Polar Surface Area | 114.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1597 |
| Heavy Atoms | 32 |
| Complexity | 1465.1108 |
Chemical Identifiers
| CAS Number | 848918-96-7 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CN=CC=C3)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43454627 (CAS 848918-96-7), with molecular formula C23H20N6O3 and molecular weight 428.16 g/mol. IUPAC: N-[5-cyano-7-(3-ethoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]pyridine-3-carboxamide.
Chemical Property Profile of AO-022/43454627
Property Insights of AO-022/43454627
The XLogP value of 2.08358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454627. The TPSA of 114.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454627. Following Lipinski's Rule of Five, AO-022/43454627 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-022/43454627?
The CAS number of AO-022/43454627 is 848918-96-7.
What is the molecular formula of AO-022/43454627?
The molecular formula of AO-022/43454627 is C23H20N6O3.
What is the molecular weight of AO-022/43454627?
The molecular weight of AO-022/43454627 is 428.16 g/mol.
Where can I buy AO-022/43454627?
You can request a quote for AO-022/43454627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454627?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.