(4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 883952-85-0) is a chemical compound with molecular formula C24H30N2O5S and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, [4-(azepan-1-ylsulfonyl)phenyl](6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, [4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone, [4-(Azepane-1-sulfonyl)-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
| Molecular Formula | C24H30N2O5S |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 3.467 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.18753 |
| Heavy Atoms | 32 |
| Complexity | 1074.3136 |
Chemical Identifiers
| CAS Number | 883952-85-0 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC |
Product Overview
(4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 883952-85-0), with molecular formula C24H30N2O5S and molecular weight 458.19 g/mol. IUPAC: [4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 3.467 indicates that (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone. Following Lipinski's Rule of Five, (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone has 0 hydrogen bond donor(s) and 5 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 (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 883952-85-0.
What is the molecular formula of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C24H30N2O5S.
What is the molecular weight of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 458.19 g/mol.
Where can I buy (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-(azepan-1-ylsulfonyl)phenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.