AO-022/43455277
TL;DR: AO-022/43455277 (CAS 846597-26-0) is a chemical compound with molecular formula C24H21N5O3 and molecular weight 427.16 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]benzamide
Also Known As: AO-022/43455277, N-[3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]benzamide, 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]benzamide, (Z)-N-(3-cyano-1-(3-ethoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, N-[(2Z)-3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C24H21N5O3 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 2.68858 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.16443 |
| Heavy Atoms | 32 |
| Complexity | 1463.0138 |
Chemical Identifiers
| CAS Number | 846597-26-0 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CC=C3)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43455277 (CAS 846597-26-0), with molecular formula C24H21N5O3 and molecular weight 427.16 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]benzamide.
Chemical Property Profile of AO-022/43455277
Property Insights of AO-022/43455277
The XLogP value of 2.68858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43455277. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455277. Following Lipinski's Rule of Five, AO-022/43455277 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-022/43455277?
The CAS number of AO-022/43455277 is 846597-26-0.
What is the molecular formula of AO-022/43455277?
The molecular formula of AO-022/43455277 is C24H21N5O3.
What is the molecular weight of AO-022/43455277?
The molecular weight of AO-022/43455277 is 427.16 g/mol.
Where can I buy AO-022/43455277?
You can request a quote for AO-022/43455277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455277?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.