6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one
TL;DR: 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one (CAS 838873-97-5) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one
Also Known As: 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one, 6-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)chromen-2-one, 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 2.54 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 1085.3691 |
Chemical Identifiers
| CAS Number | 838873-97-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4 |
Product Overview
6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one (CAS 838873-97-5), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one.
Chemical Property Profile of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one
Property Insights of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 4 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-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one?
The CAS number of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one is 838873-97-5.
What is the molecular formula of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one?
The molecular formula of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one is C18H15NO4S.
What is the molecular weight of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one?
The molecular weight of 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one is 341.07 g/mol.
Where can I buy 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one?
You can request a quote for 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.