![ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate structure](/static/products/4497/449766-38-5.webp)
ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
TL;DR: ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate (CAS 449766-38-5) is a chemical compound with molecular formula C24H28ClNO6 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-chloropropanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate, F0535-0909, Ethyl 4-[[2-(3-chloropropanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate, ethyl 4-((2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
| Molecular Formula | C24H28ClNO6 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 4.0142 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.16052 |
| Heavy Atoms | 32 |
| Complexity | 946.2508 |
Chemical Identifiers
| CAS Number | 449766-38-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)CCCl)OC)OC |
Product Overview
ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate (CAS 449766-38-5), with molecular formula C24H28ClNO6 and molecular weight 461.16 g/mol. IUPAC: ethyl 4-[[2-(3-chloropropanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
Chemical Property Profile of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Property Insights of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
The XLogP value of 4.0142 indicates that ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate 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 ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The CAS number of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is 449766-38-5.
What is the molecular formula of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The molecular formula of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is C24H28ClNO6.
What is the molecular weight of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The molecular weight of ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is 461.16 g/mol.
Where can I buy ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
You can request a quote for ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[2-(3-chloropropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.