![(E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/444/444777-41-7.png)
(E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 444777-41-7) is a chemical compound with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(1,3-benzodioxol-5-yl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(1,3-benzodioxol-5-yl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C19H17N3O5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 2.03704 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.11682 |
| Heavy Atoms | 27 |
| Complexity | 1034.2064 |
Chemical Identifiers
| CAS Number | 444777-41-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 444777-41-7), with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol. IUPAC: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.03704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 444777-41-7.
What is the molecular formula of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C19H17N3O5.
What is the molecular weight of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 367.12 g/mol.
Where can I buy (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)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-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(benzo[d][1,3]dioxol-5-yl)-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.