(E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164546-26-2) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[1-(3-hydroxypropylamino)ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-[1-(3-hydroxypropylamino)ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-6-hydroxy-5-{1-[(3-hydroxypropyl)amino]ethylidene}-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C12H17N3O4 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | -0.3804 |
| Topological Polar Surface Area | 107.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.12192 |
| Heavy Atoms | 19 |
| Complexity | 597.97253 |
Chemical Identifiers
| CAS Number | 1164546-26-2 |
|---|---|
| SMILES | CC(=NCCCO)C1=C(N(C(=O)NC1=O)CC=C)O |
Product Overview
(E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164546-26-2), with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol. IUPAC: 6-hydroxy-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -0.3804 indicates that (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-allyl-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-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 1164546-26-2.
What is the molecular formula of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C12H17N3O4.
What is the molecular weight of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 267.12 g/mol.
Where can I buy (E)-1-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-allyl-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-allyl-5-(1-((3-hydroxypropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-allyl-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.