AP-828/41253706
TL;DR: AP-828/41253706 (CAS 586992-44-1) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
Also Known As: AP-828/41253706, (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-methoxyphenoxy)acetic acid, {4-[2-Amino-3,7-dicyano-4,6-dimethyl-[1]pyrindin-(5E)-ylidenemethyl]-2-methoxy-phenoxy}-acetic acid, 2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
| Molecular Formula | C22H18N4O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.16718 |
| Topological Polar Surface Area | 142.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1328 |
| Heavy Atoms | 30 |
| Complexity | 1213.1091 |
Chemical Identifiers
| CAS Number | 586992-44-1 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC(=C(C=C3)OCC(=O)O)OC)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
AP-828/41253706 (CAS 586992-44-1), with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol. IUPAC: 2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of AP-828/41253706
Property Insights of AP-828/41253706
The XLogP value of 3.16718 indicates that AP-828/41253706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.25 Ų indicates high polarity, suggesting AP-828/41253706 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AP-828/41253706 has 2 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 AP-828/41253706?
The CAS number of AP-828/41253706 is 586992-44-1.
What is the molecular formula of AP-828/41253706?
The molecular formula of AP-828/41253706 is C22H18N4O4.
What is the molecular weight of AP-828/41253706?
The molecular weight of AP-828/41253706 is 402.13 g/mol.
Where can I buy AP-828/41253706?
You can request a quote for AP-828/41253706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41253706?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41253706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.