![1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione structure](/static/products/902/902322-82-1.png)
1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione (CAS 902322-82-1) is a chemical compound with molecular formula C18H21N3O6S and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)pyrimidine-2,4(1H,3H)-dione, 5-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)-1,3-dimethylpyrimidine-2,4-dione
| Molecular Formula | C18H21N3O6S |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | -0.0077 |
| Topological Polar Surface Area | 99.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.1151 |
| Heavy Atoms | 28 |
| Complexity | 1165.0641 |
Chemical Identifiers
| CAS Number | 902322-82-1 |
|---|---|
| SMILES | CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4 |
Product Overview
1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione (CAS 902322-82-1), with molecular formula C18H21N3O6S and molecular weight 407.12 g/mol. IUPAC: 5-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of -0.0077 indicates that 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 6 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 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione is 902322-82-1.
What is the molecular formula of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione is C18H21N3O6S.
What is the molecular weight of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione is 407.12 g/mol.
Where can I buy 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.