6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide
TL;DR: 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide (CAS 20884-93-9) is a chemical compound with molecular formula C18H20BrNO4S and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline-6,7-diol;hydrobromide
Also Known As: 3,4-Dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-isoquinolinediol hydrobromide, 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide, 7-hydroxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide, 7-Hydroxy-1-[4-(propane-2-sulfonyl)phenyl]-3,4-dihydroisoquinolin-6(2H)-one--hydrogen bromide (1/1), RefChem:306271
| Molecular Formula | C18H20BrNO4S |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 3.2513 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.02963 |
| Heavy Atoms | 25 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 20884-93-9 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=NCCC3=CC(=C(C=C32)O)O.Br |
| InChIKey | HQGVXPSXRFLOEH-UHFFFAOYSA-N |
Product Overview
6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide (CAS 20884-93-9), with molecular formula C18H20BrNO4S and molecular weight 425.03 g/mol. IUPAC: 1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline-6,7-diol;hydrobromide.
Chemical Property Profile of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide
Property Insights of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide
The XLogP value of 3.2513 indicates that 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide. Following Lipinski's Rule of Five, 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide has 3 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 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide?
The CAS number of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide is 20884-93-9.
What is the molecular formula of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide?
The molecular formula of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide is C18H20BrNO4S.
What is the molecular weight of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide?
The molecular weight of 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide is 425.03 g/mol.
Where can I buy 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide?
You can request a quote for 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.