AB00714568-01
TL;DR: AB00714568-01 (CAS 499185-33-0) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
Also Known As: AB00714568-01, 4-[(4-ethoxyanilino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione, (4E)-4-[(4-ethoxyanilino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione, (4Z)-4-[(4-ethoxyanilino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione, (Z)-4-(((4-ethoxyphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.8542 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1307.6554 |
Chemical Identifiers
| CAS Number | 499185-33-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC)O |
Product Overview
AB00714568-01 (CAS 499185-33-0), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one.
Chemical Property Profile of AB00714568-01
Property Insights of AB00714568-01
The XLogP value of 4.8542 indicates that AB00714568-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00714568-01. Following Lipinski's Rule of Five, AB00714568-01 has 1 hydrogen bond donor(s) and 5 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 AB00714568-01?
The CAS number of AB00714568-01 is 499185-33-0.
What is the molecular formula of AB00714568-01?
The molecular formula of AB00714568-01 is C25H22N2O4.
What is the molecular weight of AB00714568-01?
The molecular weight of AB00714568-01 is 414.16 g/mol.
Where can I buy AB00714568-01?
You can request a quote for AB00714568-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00714568-01?
Yes, KEHONG BIO provides custom synthesis services for AB00714568-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.