A1284/0058587
TL;DR: A1284/0058587 (CAS 313381-68-9) is a chemical compound with molecular formula C26H22N4O5S and molecular weight 502.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-5-amino-7-(3-ethoxy-4-hydroxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Also Known As: A1284/0058587, (2E)-5-amino-7-(3-ethoxy-4-hydroxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (E)-5-amino-2-(3-ethoxy-4-hydroxybenzylidene)-7-(3-ethoxy-4-hydroxyphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
| Molecular Formula | C26H22N4O5S |
|---|---|
| Molecular Weight | 502.13 g/mol |
| LogP | 2.06976 |
| Topological Polar Surface Area | 154.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.1311 |
| Heavy Atoms | 36 |
| Complexity | 1653.079 |
Chemical Identifiers
| CAS Number | 313381-68-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC(=C(C=C4)O)OCC)C#N)N)O |
Product Overview
A1284/0058587 (CAS 313381-68-9), with molecular formula C26H22N4O5S and molecular weight 502.13 g/mol. IUPAC: (2E)-5-amino-7-(3-ethoxy-4-hydroxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
Chemical Property Profile of A1284/0058587
Property Insights of A1284/0058587
The XLogP value of 2.06976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1284/0058587. The TPSA of 154.52 Ų indicates high polarity, suggesting A1284/0058587 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1284/0058587 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1284/0058587?
The CAS number of A1284/0058587 is 313381-68-9.
What is the molecular formula of A1284/0058587?
The molecular formula of A1284/0058587 is C26H22N4O5S.
What is the molecular weight of A1284/0058587?
The molecular weight of A1284/0058587 is 502.13 g/mol.
Where can I buy A1284/0058587?
You can request a quote for A1284/0058587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1284/0058587?
Yes, KEHONG BIO provides custom synthesis services for A1284/0058587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.