AP-828/41253499
TL;DR: AP-828/41253499 (CAS 585563-16-2) is a chemical compound with molecular formula C23H19BrN4O4 and molecular weight 494.06 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-bromo-6-ethoxyphenoxy]acetic acid
Also Known As: AP-828/41253499, {4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetic acid, (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-ethoxyphenoxy)acetic acid, 2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy]acetic acid
| Molecular Formula | C23H19BrN4O4 |
|---|---|
| Molecular Weight | 494.06 g/mol |
| LogP | 4.31978 |
| Topological Polar Surface Area | 142.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.05896 |
| Heavy Atoms | 32 |
| Complexity | 1282.6125 |
Chemical Identifiers
| CAS Number | 585563-16-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=C(C3=C2C(=C(C(=N3)N)C#N)C)C#N)C)Br)OCC(=O)O |
Product Overview
AP-828/41253499 (CAS 585563-16-2), with molecular formula C23H19BrN4O4 and molecular weight 494.06 g/mol. IUPAC: 2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy]acetic acid.
Chemical Property Profile of AP-828/41253499
Property Insights of AP-828/41253499
The XLogP value of 4.31978 indicates that AP-828/41253499 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.25 Ų indicates high polarity, suggesting AP-828/41253499 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AP-828/41253499 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-828/41253499?
The CAS number of AP-828/41253499 is 585563-16-2.
What is the molecular formula of AP-828/41253499?
The molecular formula of AP-828/41253499 is C23H19BrN4O4.
What is the molecular weight of AP-828/41253499?
The molecular weight of AP-828/41253499 is 494.06 g/mol.
Where can I buy AP-828/41253499?
You can request a quote for AP-828/41253499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/41253499?
Yes, KEHONG BIO provides custom synthesis services for AP-828/41253499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.