5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione (CAS 897622-94-5) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione
Also Known As: VU0491159-1, AB00679259-01, F2526-0097, 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione, 5-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-2-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | -0.1898 |
| Topological Polar Surface Area | 103.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 897.8727 |
Chemical Identifiers
| CAS Number | 897622-94-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CNC(=O)NC3=O |
Product Overview
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione (CAS 897622-94-5), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione
The XLogP value of -0.1898 indicates that 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione has 2 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 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione is 897622-94-5.
What is the molecular formula of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione is C13H13N3O4S.
What is the molecular weight of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione is 307.06 g/mol.
Where can I buy 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.