(1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone
TL;DR: (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone (CAS 449765-15-5) is a chemical compound with molecular formula C31H36N2O7S and molecular weight 580.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
Also Known As: (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone, F0535-0300, [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone, 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-2-[4-(morpholine-4-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C31H36N2O7S |
|---|---|
| Molecular Weight | 580.22 g/mol |
| LogP | 4.1057 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 580.2243 |
| Heavy Atoms | 41 |
| Complexity | 1467.5511 |
Chemical Identifiers
| CAS Number | 449765-15-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OC)OC |
Product Overview
(1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone (CAS 449765-15-5), with molecular formula C31H36N2O7S and molecular weight 580.22 g/mol. IUPAC: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
Chemical Property Profile of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone
Property Insights of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone
The XLogP value of 4.1057 indicates that (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone. Following Lipinski's Rule of Five, (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone?
The CAS number of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone is 449765-15-5.
What is the molecular formula of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone?
The molecular formula of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone is C31H36N2O7S.
What is the molecular weight of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone?
The molecular weight of (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone is 580.22 g/mol.
Where can I buy (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone?
You can request a quote for (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-(morpholinosulfonyl)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.