AO-022/41253840
TL;DR: AO-022/41253840 (CAS 593275-06-0) is a chemical compound with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
Also Known As: AO-022/41253840, (5Z)-2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile, (5Z)-2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile, (Z)-2-amino-5-((6-methoxybenzo[d][1,3]dioxol-5-yl)methylene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile, (5Z)-2-AMINO-5-[(6-METHOXY-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-4,6-DIMETHYL-5H-CYCLOPENTA[B]PYRIDINE-3,7-DICARBONITRILE
| Molecular Formula | C21H16N4O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.43248 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.12225 |
| Heavy Atoms | 28 |
| Complexity | 1179.8478 |
Chemical Identifiers
| CAS Number | 593275-06-0 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC4=C(C=C3OC)OCO4)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
AO-022/41253840 (CAS 593275-06-0), with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol. IUPAC: (5Z)-2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile.
Chemical Property Profile of AO-022/41253840
Property Insights of AO-022/41253840
The XLogP value of 3.43248 indicates that AO-022/41253840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41253840. Following Lipinski's Rule of Five, AO-022/41253840 has 1 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-022/41253840?
The CAS number of AO-022/41253840 is 593275-06-0.
What is the molecular formula of AO-022/41253840?
The molecular formula of AO-022/41253840 is C21H16N4O3.
What is the molecular weight of AO-022/41253840?
The molecular weight of AO-022/41253840 is 372.12 g/mol.
Where can I buy AO-022/41253840?
You can request a quote for AO-022/41253840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41253840?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41253840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.