![methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate structure](/static/products/4864/486452-76-0.webp)
methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
TL;DR: methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate (CAS 486452-76-0) is a chemical compound with molecular formula C27H26ClNO6 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate, F0535-0839, Methyl 4-[[2-(3-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate, methyl 4-((2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
| Molecular Formula | C27H26ClNO6 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 4.9624 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.14487 |
| Heavy Atoms | 35 |
| Complexity | 1226.8412 |
Chemical Identifiers
| CAS Number | 486452-76-0 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=CC=C3)Cl)COC4=CC=C(C=C4)C(=O)OC)OC |
Product Overview
methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate (CAS 486452-76-0), with molecular formula C27H26ClNO6 and molecular weight 495.14 g/mol. IUPAC: methyl 4-[[2-(3-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
Chemical Property Profile of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Property Insights of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
The XLogP value of 4.9624 indicates that methyl 4-{[2-(3-chlorobenzoyl)-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 methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate. Following Lipinski's Rule of Five, methyl 4-{[2-(3-chlorobenzoyl)-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 methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The CAS number of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is 486452-76-0.
What is the molecular formula of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The molecular formula of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is C27H26ClNO6.
What is the molecular weight of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
The molecular weight of methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate is 495.14 g/mol.
Where can I buy methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
You can request a quote for methyl 4-{[2-(3-chlorobenzoyl)-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 methyl 4-{[2-(3-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[2-(3-chlorobenzoyl)-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.