(Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 799798-44-0) is a chemical compound with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-butan-2-ylphenyl)-5-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-1-(4-butan-2-ylphenyl)-5-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C27H27N3O3 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 5.02472 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.20523 |
| Heavy Atoms | 33 |
| Complexity | 1220.2573 |
Chemical Identifiers
| CAS Number | 799798-44-0 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3CC4=CC=C(C=C4)C)/C(=O)NC2=O |
Product Overview
(Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 799798-44-0), with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol. IUPAC: (5Z)-1-(4-butan-2-ylphenyl)-5-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 5.02472 indicates that (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 799798-44-0.
What is the molecular formula of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C27H27N3O3.
What is the molecular weight of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 441.21 g/mol.
Where can I buy (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-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 (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(4-(sec-butyl)phenyl)-5-((1-(4-methylbenzyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.