![ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate structure](/static/products/6811/681155-29-3.webp)
ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
TL;DR: ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate (CAS 681155-29-3) is a chemical compound with molecular formula C28H27ClN2O8 and molecular weight 554.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate, F0535-0959, ethyl 4-((2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate, ethyl 4-[[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
| Molecular Formula | C28H27ClN2O8 |
|---|---|
| Molecular Weight | 554.15 g/mol |
| LogP | 5.2607 |
| Topological Polar Surface Area | 117.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.14557 |
| Heavy Atoms | 39 |
| Complexity | 1393.0555 |
Chemical Identifiers
| CAS Number | 681155-29-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])OC)OC |
Product Overview
ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate (CAS 681155-29-3), with molecular formula C28H27ClN2O8 and molecular weight 554.15 g/mol. IUPAC: ethyl 4-[[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
Chemical Property Profile of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Property Insights of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
The XLogP value of 5.2607 indicates that ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-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 117.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The CAS number of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is 681155-29-3.
What is the molecular formula of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The molecular formula of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is C28H27ClN2O8.
What is the molecular weight of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The molecular weight of ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is 554.15 g/mol.
Where can I buy ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
You can request a quote for ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-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-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[2-(5-chloro-2-nitrobenzoyl)-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.