3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one
TL;DR: 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one (CAS 66170-03-4) is a chemical compound with molecular formula C22H22ClNO5 and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one
Also Known As: 3-chloro-1-1-2-propanone, 3-Chloro-1- -1- -2-propanone, 3-chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one, 3-Chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-2-propanone, 2-Propanone, 3-chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-
| Molecular Formula | C22H22ClNO5 |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 4.209 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.11865 |
| Heavy Atoms | 29 |
| Complexity | 1037.1315 |
Chemical Identifiers
| CAS Number | 66170-03-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)C(=O)CCl)OC |
Product Overview
3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one (CAS 66170-03-4), with molecular formula C22H22ClNO5 and molecular weight 415.12 g/mol. IUPAC: 3-chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one.
Chemical Property Profile of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one
Property Insights of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one
The XLogP value of 4.209 indicates that 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one. Following Lipinski's Rule of Five, 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one has 0 hydrogen bond donor(s) and 6 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 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one?
The CAS number of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one is 66170-03-4.
What is the molecular formula of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one?
The molecular formula of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one is C22H22ClNO5.
What is the molecular weight of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one?
The molecular weight of 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one is 415.12 g/mol.
Where can I buy 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one?
You can request a quote for 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.