Opera_ID_840
TL;DR: Opera_ID_840 (CAS 384361-01-7) is a chemical compound with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanesulfonamide
Also Known As: N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}ethanesulfonamide, {2-[(6,7-dimethoxyisoquinolyl)methyl]-4,5-dimethoxyphenyl}(ethylsulfonyl)amine, N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)ethanesulfonamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]ethanesulfonamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanesulfonamide
| Molecular Formula | C22H26N2O6S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 3.6216 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.15115 |
| Heavy Atoms | 31 |
| Complexity | 1194.3157 |
Chemical Identifiers
| CAS Number | 384361-01-7 |
|---|---|
| SMILES | CCS(=O)(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
Product Overview
Opera_ID_840 (CAS 384361-01-7), with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol. IUPAC: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanesulfonamide.
Chemical Property Profile of Opera_ID_840
Property Insights of Opera_ID_840
The XLogP value of 3.6216 indicates that Opera_ID_840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_840. Following Lipinski's Rule of Five, Opera_ID_840 has 1 hydrogen bond donor(s) and 7 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 Opera_ID_840?
The CAS number of Opera_ID_840 is 384361-01-7.
What is the molecular formula of Opera_ID_840?
The molecular formula of Opera_ID_840 is C22H26N2O6S.
What is the molecular weight of Opera_ID_840?
The molecular weight of Opera_ID_840 is 446.15 g/mol.
Where can I buy Opera_ID_840?
You can request a quote for Opera_ID_840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_840?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.