![2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione structure](/static/products/369/369603-27-0.png)
2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione
TL;DR: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione (CAS 369603-27-0) is a chemical compound with molecular formula C19H22ClNO5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione
Also Known As: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione, 2-(2-(2-chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione, 2-[2-(2-Chloro-acetyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl]-cyclohexane-1,3-dione
| Molecular Formula | C19H22ClNO5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 2.3067 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.11865 |
| Heavy Atoms | 26 |
| Complexity | 731.6902 |
Chemical Identifiers
| CAS Number | 369603-27-0 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3C(=O)CCCC3=O)OC |
Product Overview
2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione (CAS 369603-27-0), with molecular formula C19H22ClNO5 and molecular weight 379.12 g/mol. IUPAC: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione.
Chemical Property Profile of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione
Property Insights of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione
The XLogP value of 2.3067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione has 0 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 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione?
The CAS number of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione is 369603-27-0.
What is the molecular formula of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione?
The molecular formula of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione is C19H22ClNO5.
What is the molecular weight of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione?
The molecular weight of 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione is 379.12 g/mol.
Where can I buy 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione?
You can request a quote for 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.