5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
TL;DR: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione (CAS 302802-09-1) is a chemical compound with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
Also Known As: BAS 01257258, 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, 5-{[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-methylene}-pyrimidine-2,4,6-trione, 5-{[(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]methylene}-1,3-dihydropyrimi dine-2,4,6-trione
| Molecular Formula | C13H11N3O5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 0.1166 |
| Topological Polar Surface Area | 116.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0699 |
| Heavy Atoms | 21 |
| Complexity | 821.2869 |
Chemical Identifiers
| CAS Number | 302802-09-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN=CC3=C(NC(=O)NC3=O)O |
Product Overview
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione (CAS 302802-09-1), with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
Property Insights of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
The XLogP value of 0.1166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione. The TPSA of 116.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione has 3 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 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The CAS number of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is 302802-09-1.
What is the molecular formula of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is C13H11N3O5.
What is the molecular weight of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is 289.07 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-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-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.