1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 355820-90-5) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-1,3-diazinane-2,4,6-trione
Also Known As: BAS 03515704, 1-(1,3-benzodioxol-5-yl)-1,3-diazinane-2,4,6-trione, 1-Benzo[1,3]dioxol-5-yl-pyrimidine-2,4,6-trione, 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(1,3-benzodioxol-5-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C11H8N2O5 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 0.3882 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.04332 |
| Heavy Atoms | 18 |
| Complexity | 548.55206 |
Chemical Identifiers
| CAS Number | 355820-90-5 |
|---|---|
| SMILES | C1C(=O)NC(=O)N(C1=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 355820-90-5), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.3882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is 355820-90-5.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is C11H8N2O5.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is 248.04 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.