AB00685596-01
TL;DR: AB00685596-01 (CAS 526188-40-9) is a chemical compound with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-methyl-4-[(4-methyl-2-pyridinyl)iminomethyl]benzo[g][1]benzofuran-3-carboxylate
Also Known As: AB00685596-01, F1094-0085, (Z)-ethyl 2-methyl-4-(((4-methylpyridin-2-yl)amino)methylene)-5-oxo-4,5-dihydronaphtho[1,2-b]furan-3-carboxylate, ethyl (4Z)-2-methyl-4-{[(4-methylpyridin-2-yl)amino]methylidene}-5-oxo-4H,5H-naphtho[1,2-b]furan-3-carboxylate, ethyl (4E)-2-methyl-4-[[(4-methylpyridin-2-yl)amino]methylidene]-5-oxobenzo[g][1]benzofuran-3-carboxylate
| Molecular Formula | C23H20N2O4 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 5.23074 |
| Topological Polar Surface Area | 84.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.1423 |
| Heavy Atoms | 29 |
| Complexity | 1271.089 |
Chemical Identifiers
| CAS Number | 526188-40-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C=NC4=NC=CC(=C4)C)C |
Product Overview
AB00685596-01 (CAS 526188-40-9), with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol. IUPAC: ethyl 5-hydroxy-2-methyl-4-[(4-methyl-2-pyridinyl)iminomethyl]benzo[g][1]benzofuran-3-carboxylate.
Chemical Property Profile of AB00685596-01
Property Insights of AB00685596-01
The XLogP value of 5.23074 indicates that AB00685596-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685596-01. Following Lipinski's Rule of Five, AB00685596-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00685596-01?
The CAS number of AB00685596-01 is 526188-40-9.
What is the molecular formula of AB00685596-01?
The molecular formula of AB00685596-01 is C23H20N2O4.
What is the molecular weight of AB00685596-01?
The molecular weight of AB00685596-01 is 388.14 g/mol.
Where can I buy AB00685596-01?
You can request a quote for AB00685596-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685596-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685596-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.