RefChem:349931
TL;DR: RefChem:349931 (CAS 5470-82-6) is a chemical compound with molecular formula C22H27NO5S and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Also Known As: 5-21-05-00597 (Beilstein Handbook Reference), 2-Acetyl-1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxyisoquinoline, 1-{6,7-dimethoxy-1-[4-(propan-2-ylsulfonyl)phenyl]-3,4-dihydroisoquinolin-2(1h)-yl}ethanone, 2-Acetyl-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-2-acetyl-6,7-dimethoxy-1-(p-(isopropylsulfonyl)phenyl)-
| Molecular Formula | C22H27NO5S |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.16098 |
| Heavy Atoms | 29 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 5470-82-6 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC |
| InChIKey | HJIRDFGPYLYPOB-UHFFFAOYSA-N |
Product Overview
RefChem:349931 (CAS 5470-82-6), with molecular formula C22H27NO5S and molecular weight 417.16 g/mol. IUPAC: 1-[6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
Chemical Property Profile of RefChem:349931
Property Insights of RefChem:349931
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349931. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349931. Following Lipinski's Rule of Five, RefChem:349931 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 RefChem:349931?
The CAS number of RefChem:349931 is 5470-82-6.
What is the molecular formula of RefChem:349931?
The molecular formula of RefChem:349931 is C22H27NO5S.
What is the molecular weight of RefChem:349931?
The molecular weight of RefChem:349931 is 417.16 g/mol.
Where can I buy RefChem:349931?
You can request a quote for RefChem:349931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349931?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.