AO-022/42490139
TL;DR: AO-022/42490139 (CAS 669749-01-3) is a chemical compound with molecular formula C28H25N5O3 and molecular weight 479.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-6-methoxy-3',9,11,11-tetramethyl-2-oxo-1'-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
Also Known As: AO-022/42490139, 6-amino-8'-methoxy-3,4',4',6'-tetramethyl-2'-oxo-1-phenyl-2',4'-dihydro-1H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinoline]-5-carbonitrile, 6'-Amino-6-methoxy-3',9,11,11-tetramethyl-2-oxo-1'-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-8'-methoxy-3,4',4',6'-tetramethyl-1-phenyl-1,4-dihydro-2'(1'H)-oxospiro(pyrano[2,3-c]pyrazole-4,1'[4'H]-pyrrolo[3,2,1-ij]quinoline)-5-carbonitrile, 6-amino-8'-methoxy-3,4',4',6'-tetramethyl-2'-oxo-1-phenyl-1H,4'H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinoline]-5-carbonitrile
| Molecular Formula | C28H25N5O3 |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 4.1038 |
| Topological Polar Surface Area | 106.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 479.19574 |
| Heavy Atoms | 36 |
| Complexity | 1589.2576 |
Chemical Identifiers
| CAS Number | 669749-01-3 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C4(C2=O)C(=C(OC5=C4C(=NN5C6=CC=CC=C6)C)N)C#N)OC)(C)C |
Product Overview
AO-022/42490139 (CAS 669749-01-3), with molecular formula C28H25N5O3 and molecular weight 479.20 g/mol. IUPAC: 6'-amino-6-methoxy-3',9,11,11-tetramethyl-2-oxo-1'-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
Chemical Property Profile of AO-022/42490139
Property Insights of AO-022/42490139
The XLogP value of 4.1038 indicates that AO-022/42490139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42490139. Following Lipinski's Rule of Five, AO-022/42490139 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-022/42490139?
The CAS number of AO-022/42490139 is 669749-01-3.
What is the molecular formula of AO-022/42490139?
The molecular formula of AO-022/42490139 is C28H25N5O3.
What is the molecular weight of AO-022/42490139?
The molecular weight of AO-022/42490139 is 479.20 g/mol.
Where can I buy AO-022/42490139?
You can request a quote for AO-022/42490139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42490139?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42490139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.