AO-022/43356623
TL;DR: AO-022/43356623 (CAS 774561-49-8) is a chemical compound with molecular formula C31H31N3O3 and molecular weight 493.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-6-ethyl-9,11,11-trimethyl-2,5'-dioxo-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile
Also Known As: AO-022/43356623, 2-amino-2',5-dioxo-8'-ethyl-6'-phenyl-4',4',6'-trimethyl-5,5',6,6',7,8-hexahydrospiro(chromene-4,1'-pyrrolo[3,2,1-ij]quinoline)-3-carbonitrile, 2-amino-8'-ethyl-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, 2'-Amino-6-ethyl-9,11,11-trimethyl-2,5'-dioxo-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile, 2-amino-8'-ethyl-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-2',4',5,5',6,6',7,8-octahydrospiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
| Molecular Formula | C31H31N3O3 |
|---|---|
| Molecular Weight | 493.24 g/mol |
| LogP | 5.05288 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 493.23654 |
| Heavy Atoms | 37 |
| Complexity | 1493.5319 |
Chemical Identifiers
| CAS Number | 774561-49-8 |
|---|---|
| SMILES | CCC1=CC2=C3C(=C1)C4(C(=C(OC5=C4C(=O)CCC5)N)C#N)C(=O)N3C(CC2(C)C6=CC=CC=C6)(C)C |
Product Overview
AO-022/43356623 (CAS 774561-49-8), with molecular formula C31H31N3O3 and molecular weight 493.24 g/mol. IUPAC: 2'-amino-6-ethyl-9,11,11-trimethyl-2,5'-dioxo-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile.
Chemical Property Profile of AO-022/43356623
Property Insights of AO-022/43356623
The XLogP value of 5.05288 indicates that AO-022/43356623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43356623. Following Lipinski's Rule of Five, AO-022/43356623 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/43356623?
The CAS number of AO-022/43356623 is 774561-49-8.
What is the molecular formula of AO-022/43356623?
The molecular formula of AO-022/43356623 is C31H31N3O3.
What is the molecular weight of AO-022/43356623?
The molecular weight of AO-022/43356623 is 493.24 g/mol.
Where can I buy AO-022/43356623?
You can request a quote for AO-022/43356623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43356623?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43356623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.