![2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione structure](/static/products/305/305869-58-3.png)
2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione (CAS 305869-58-3) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione, 2-(2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)-5,5-dimethylcyclohexane-1,3-dione, 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione
| Molecular Formula | C19H22ClNO3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.9256 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1288 |
| Heavy Atoms | 24 |
| Complexity | 677.60724 |
Chemical Identifiers
| CAS Number | 305869-58-3 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3CCN2C(=O)CCl)C |
Product Overview
2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione (CAS 305869-58-3), with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol. IUPAC: 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 2.9256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 3 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)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione is 305869-58-3.
What is the molecular formula of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione is C19H22ClNO3.
What is the molecular weight of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione is 347.13 g/mol.
Where can I buy 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-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)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.