AB01331228-02
TL;DR: AB01331228-02 (CAS 900280-63-9) is a chemical compound with molecular formula C27H23ClN2O6 and molecular weight 506.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 4-chlorobenzoate
Also Known As: AB01331228-02, (4-chlorophenyl)({[(Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)methanone, [[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 4-chlorobenzoate, (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(4-chlorobenzoyl) oxime, [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 4-chlorobenzoate
| Molecular Formula | C27H23ClN2O6 |
|---|---|
| Molecular Weight | 506.12 g/mol |
| LogP | 5.532 |
| Topological Polar Surface Area | 88.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.12445 |
| Heavy Atoms | 36 |
| Complexity | 1436.6559 |
Chemical Identifiers
| CAS Number | 900280-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC |
Product Overview
AB01331228-02 (CAS 900280-63-9), with molecular formula C27H23ClN2O6 and molecular weight 506.12 g/mol. IUPAC: [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 4-chlorobenzoate.
Chemical Property Profile of AB01331228-02
Property Insights of AB01331228-02
The XLogP value of 5.532 indicates that AB01331228-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01331228-02. Following Lipinski's Rule of Five, AB01331228-02 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01331228-02?
The CAS number of AB01331228-02 is 900280-63-9.
What is the molecular formula of AB01331228-02?
The molecular formula of AB01331228-02 is C27H23ClN2O6.
What is the molecular weight of AB01331228-02?
The molecular weight of AB01331228-02 is 506.12 g/mol.
Where can I buy AB01331228-02?
You can request a quote for AB01331228-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01331228-02?
Yes, KEHONG BIO provides custom synthesis services for AB01331228-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.