AO-022/43454910
TL;DR: AO-022/43454910 (CAS 877779-42-5) is a chemical compound with molecular formula C26H25N5O5 and molecular weight 487.19 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]-3,4-dimethoxybenzamide
Also Known As: AO-022/43454910, (E)-N-(3-cyano-1-(3-ethoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4-dimethoxybenzamide, 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]-3,4-dimethoxybenzamide, N-[(2E)-3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4-dimethoxybenzamide, N-[3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3,4-dimethoxybenzamide
| Molecular Formula | C26H25N5O5 |
|---|---|
| Molecular Weight | 487.19 g/mol |
| LogP | 2.70578 |
| Topological Polar Surface Area | 120.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.18558 |
| Heavy Atoms | 36 |
| Complexity | 1613.8981 |
Chemical Identifiers
| CAS Number | 877779-42-5 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=C(C=C3)OC)OC)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43454910 (CAS 877779-42-5), with molecular formula C26H25N5O5 and molecular weight 487.19 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]-3,4-dimethoxybenzamide.
Chemical Property Profile of AO-022/43454910
Property Insights of AO-022/43454910
The XLogP value of 2.70578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454910. The TPSA of 120.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454910. Following Lipinski's Rule of Five, AO-022/43454910 has 0 hydrogen bond donor(s) and 7 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-022/43454910?
The CAS number of AO-022/43454910 is 877779-42-5.
What is the molecular formula of AO-022/43454910?
The molecular formula of AO-022/43454910 is C26H25N5O5.
What is the molecular weight of AO-022/43454910?
The molecular weight of AO-022/43454910 is 487.19 g/mol.
Where can I buy AO-022/43454910?
You can request a quote for AO-022/43454910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454910?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.