6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-
TL;DR: 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- (CAS 21140-78-3) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Also Known As: 5-21-05-00596 (Beilstein Handbook Reference), 1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-isoquinolinediol, 6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(p-(ISOPROPYLSULFONYL)PHENYL)-, 1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol, 1-[4-(PROPANE-2-SULFONYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-4,6-DIOL
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 21140-78-3 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)C(CN2)O |
| InChIKey | SGBMONPIFGUIBY-UHFFFAOYSA-N |
Product Overview
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- (CAS 21140-78-3), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol.
Chemical Property Profile of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-
Property Insights of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-. Following Lipinski's Rule of Five, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- 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, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-?
The CAS number of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- is 21140-78-3.
What is the molecular formula of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-?
The molecular formula of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- is C18H21NO4S.
What is the molecular weight of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-?
The molecular weight of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- is 347.12 g/mol.
Where can I buy 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-?
You can request a quote for 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- 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, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.