(E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577962-68-6) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-6-hydroxy-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione
Also Known As: (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-benzyl-5-[1-(3-hydroxypropylamino)ethylidene]-1,3-diazinane-2,4,6-trione, 1-benzyl-5-[1-(3-hydroxypropylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-benzyl-6-hydroxy-5-{1-[(3-hydroxypropyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C16H19N3O4 |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | 0.4819 |
| Topological Polar Surface Area | 107.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.13754 |
| Heavy Atoms | 23 |
| Complexity | 806.3104 |
Chemical Identifiers
| CAS Number | 577962-68-6 |
|---|---|
| SMILES | CC(=NCCCO)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)O |
Product Overview
(E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577962-68-6), with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol. IUPAC: 1-benzyl-6-hydroxy-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.4819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 107.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 3 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 (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 577962-68-6.
What is the molecular formula of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C16H19N3O4.
What is the molecular weight of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 317.14 g/mol.
Where can I buy (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)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 (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-benzyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.