5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
TL;DR: 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione (CAS 6321-66-0) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione, 5-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinane-2,4,6-trione, 5-[(2H-1,3-Benzodioxol-5-yl)methyl]-1,3-diazinane-2,4,6-trione, O3,O4-bis-acetoxymethyl-O1,O6-diacetyl-O2,O5-methanediyl-D-mannitol
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 6321-66-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC3C(=O)NC(=O)NC3=O |
| InChIKey | SRCVEVIDGIOOKP-UHFFFAOYSA-N |
Product Overview
5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione (CAS 6321-66-0), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
Property Insights of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione has 2 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 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione?
The CAS number of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione is 6321-66-0.
What is the molecular formula of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular formula of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione is C12H10N2O5.
What is the molecular weight of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular weight of 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione is 262.06 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione?
You can request a quote for 5-(1,3-Benzodioxol-5-ylmethyl)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 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-ylmethyl)pyrimidine-2,4,6(1h,3h,5h)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.