(E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 839703-89-8) is a chemical compound with molecular formula C26H25N5O5S and molecular weight 519.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]-1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-({2,5-dimethyl-1-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-6-hydroxy-3-(thiophen-2-ylmethyl)pyrimidine-2,4(3H,5H)-dione, (5E)-5-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]-1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C26H25N5O5S |
|---|---|
| Molecular Weight | 519.16 g/mol |
| LogP | 4.32604 |
| Topological Polar Surface Area | 117.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.15765 |
| Heavy Atoms | 37 |
| Complexity | 1450.052 |
Chemical Identifiers
| CAS Number | 839703-89-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)/C=C/4\C(=O)NC(=O)N(C4=O)CC5=CC=CS5 |
Product Overview
(E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 839703-89-8), with molecular formula C26H25N5O5S and molecular weight 519.16 g/mol. IUPAC: (5E)-5-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]-1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.32604 indicates that (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 839703-89-8.
What is the molecular formula of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C26H25N5O5S.
What is the molecular weight of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 519.16 g/mol.
Where can I buy (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)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)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((2,5-dimethyl-1-(3-nitro-4-(pyrrolidin-1-yl)phenyl)-1H-pyrrol-3-yl)methylene)-1-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.