RefChem:1075491
TL;DR: RefChem:1075491 (CAS 54022-66-1) is a chemical compound with molecular formula C22H23ClN2O7 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyacetic acid;hydrochloride
Also Known As: Acetic acid, ((((6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)methylene)amino)oxy)-, monohydrochloride, RefChem:1075491
| Molecular Formula | C22H23ClN2O7 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 3.5446 |
| Topological Polar Surface Area | 108.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.1194 |
| Heavy Atoms | 32 |
| Complexity | 1134.7076 |
Chemical Identifiers
| CAS Number | 54022-66-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N/OCC(=O)O)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl |
Product Overview
RefChem:1075491 (CAS 54022-66-1), with molecular formula C22H23ClN2O7 and molecular weight 462.12 g/mol. IUPAC: 2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyacetic acid;hydrochloride.
Chemical Property Profile of RefChem:1075491
Property Insights of RefChem:1075491
The XLogP value of 3.5446 indicates that RefChem:1075491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075491. Following Lipinski's Rule of Five, RefChem:1075491 has 1 hydrogen bond donor(s) and 8 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 RefChem:1075491?
The CAS number of RefChem:1075491 is 54022-66-1.
What is the molecular formula of RefChem:1075491?
The molecular formula of RefChem:1075491 is C22H23ClN2O7.
What is the molecular weight of RefChem:1075491?
The molecular weight of RefChem:1075491 is 462.12 g/mol.
Where can I buy RefChem:1075491?
You can request a quote for RefChem:1075491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075491?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.