AO-022/42490137
TL;DR: AO-022/42490137 (CAS 669748-91-8) is a chemical compound with molecular formula C27H29N3O4 and molecular weight 459.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-6-ethoxy-7',7',9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-6,8-dihydrochromene]-3'-carbonitrile
Also Known As: AO-022/42490137, 2-amino-8'-ethoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-2',4',5,6,7,8-hexahydrospiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, 2-amino-8'-ethoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, 2'-Amino-6-ethoxy-7',7',9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-6,8-dihydrochromene]-3'-carbonitrile, 2-amino-8'-ethoxy-4',4',6',7,7-pentamethyl-2'(1'H),5-dioxo-5,6,7,8-tetrahydrospiro(4H-chromene-4,1'[4'H]-pyrrolo[3,2,1-ij]quinoline)-3-carbonitrile
| Molecular Formula | C27H29N3O4 |
|---|---|
| Molecular Weight | 459.22 g/mol |
| LogP | 4.23248 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.21582 |
| Heavy Atoms | 34 |
| Complexity | 1321.8156 |
Chemical Identifiers
| CAS Number | 669748-91-8 |
|---|---|
| SMILES | CCOC1=CC2=C3C(=C1)C4(C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)C(=O)N3C(C=C2C)(C)C |
Product Overview
AO-022/42490137 (CAS 669748-91-8), with molecular formula C27H29N3O4 and molecular weight 459.22 g/mol. IUPAC: 2'-amino-6-ethoxy-7',7',9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-6,8-dihydrochromene]-3'-carbonitrile.
Chemical Property Profile of AO-022/42490137
Property Insights of AO-022/42490137
The XLogP value of 4.23248 indicates that AO-022/42490137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42490137. Following Lipinski's Rule of Five, AO-022/42490137 has 1 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-022/42490137?
The CAS number of AO-022/42490137 is 669748-91-8.
What is the molecular formula of AO-022/42490137?
The molecular formula of AO-022/42490137 is C27H29N3O4.
What is the molecular weight of AO-022/42490137?
The molecular weight of AO-022/42490137 is 459.22 g/mol.
Where can I buy AO-022/42490137?
You can request a quote for AO-022/42490137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42490137?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42490137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.