5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione
TL;DR: 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione (CAS 593273-30-4) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione, (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione, (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione, (E)-5-((1-(tert-butyl)-1H-pyrrol-2-yl)methylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylene]-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.9181 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 932.8816 |
Chemical Identifiers
| CAS Number | 593273-30-4 |
|---|---|
| SMILES | CC(C)(C)N1C=CC=C1/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC |
Product Overview
5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione (CAS 593273-30-4), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione
Property Insights of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione
The XLogP value of 2.9181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione. Following Lipinski's Rule of Five, 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione has 1 hydrogen bond donor(s) and 4 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 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione?
The CAS number of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione is 593273-30-4.
What is the molecular formula of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione?
The molecular formula of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione is C20H21N3O4.
What is the molecular weight of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione?
The molecular weight of 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione is 367.15 g/mol.
Where can I buy 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione?
You can request a quote for 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-tert-Butyl-1H-pyrrol-2-ylmethylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.