![(5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/676/676583-50-9.png)
(5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 676583-50-9) is a chemical compound with molecular formula C19H18BrN3O2S and molecular weight 431.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(4-bromophenyl)-5-((1-(tert-butyl)-1H-pyrrol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-bromophenyl)-2-sulfanylidene-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1,3-diazinane-4,6-dione
| Molecular Formula | C19H18BrN3O2S |
|---|---|
| Molecular Weight | 431.03 g/mol |
| LogP | 3.8369 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.0303 |
| Heavy Atoms | 26 |
| Complexity | 923.00604 |
Chemical Identifiers
| CAS Number | 676583-50-9 |
|---|---|
| SMILES | CC(C)(C)N1C=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br |
Product Overview
(5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 676583-50-9), with molecular formula C19H18BrN3O2S and molecular weight 431.03 g/mol. IUPAC: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.8369 indicates that (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 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 (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 676583-50-9.
What is the molecular formula of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C19H18BrN3O2S.
What is the molecular weight of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 431.03 g/mol.
Where can I buy (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.