6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one (CAS 877804-61-0) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 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)-3H-1,3-benzoxazol-2-one
Also Known As: 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one, 6-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzo[d]oxazol-2-ol, 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one, 6-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 1.8681 |
| Topological Polar Surface Area | 83.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 1049.1276 |
Chemical Identifiers
| CAS Number | 877804-61-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4 |
Product Overview
6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one (CAS 877804-61-0), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 1.8681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one. The TPSA of 83.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one has 1 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-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one is 877804-61-0.
What is the molecular formula of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one is C16H14N2O4S.
What is the molecular weight of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one is 330.07 g/mol.
Where can I buy 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.