AO-022/43455086
TL;DR: AO-022/43455086 (CAS 845649-76-5) is a chemical compound with molecular formula C27H23N5O3 and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-cyano-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-phenylprop-2-enamide
Also Known As: AO-022/43455086, (E)-N-(3-cyano-10-methyl-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)cinnamamide, (2E)-N-[(2E)-3-cyano-10-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-phenylprop-2-enamide, (E)-N-[5-Cyano-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-phenylprop-2-enamide, N-[3-cyano-10-methyl-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3-phenylacrylamide
| Molecular Formula | C27H23N5O3 |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 3.149 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.18008 |
| Heavy Atoms | 35 |
| Complexity | 1635.7882 |
Chemical Identifiers
| CAS Number | 845649-76-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)/C=C/C4=CC=CC=C4)N3CC5CCCO5)C#N |
Product Overview
AO-022/43455086 (CAS 845649-76-5), with molecular formula C27H23N5O3 and molecular weight 465.18 g/mol. IUPAC: (E)-N-[5-cyano-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-phenylprop-2-enamide.
Chemical Property Profile of AO-022/43455086
Property Insights of AO-022/43455086
The XLogP value of 3.149 indicates that AO-022/43455086 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-022/43455086. Following Lipinski's Rule of Five, AO-022/43455086 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-022/43455086?
The CAS number of AO-022/43455086 is 845649-76-5.
What is the molecular formula of AO-022/43455086?
The molecular formula of AO-022/43455086 is C27H23N5O3.
What is the molecular weight of AO-022/43455086?
The molecular weight of AO-022/43455086 is 465.18 g/mol.
Where can I buy AO-022/43455086?
You can request a quote for AO-022/43455086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455086?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.