![(5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid structure](/static/products/587/587013-51-2.png)
(5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid
TL;DR: (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid (CAS 587013-51-2) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid, 1-Allyl-5-[1-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-prop-(E)-ylidene]-pyrimidine-2,4,6-trione, (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione, (E)-1-allyl-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 1.5562 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 987.2967 |
Chemical Identifiers
| CAS Number | 587013-51-2 |
|---|---|
| SMILES | CCC(=NCC1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)NC3=O)CC=C)O |
Product Overview
(5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid (CAS 587013-51-2), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid
Property Insights of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid
The XLogP value of 1.5562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid. The TPSA of 105.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid. Following Lipinski's Rule of Five, (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid has 2 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 (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid?
The CAS number of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid is 587013-51-2.
What is the molecular formula of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid?
The molecular formula of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid is C18H19N3O5.
What is the molecular weight of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid?
The molecular weight of (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid is 357.13 g/mol.
Where can I buy (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid?
You can request a quote for (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-allyl-5-[1-(piperonylamino)propylidene]barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.