![5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione structure](/static/products/6239/6239-39-0.webp)
5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione (CAS 6239-39-0) is a chemical compound with molecular formula C13H13BrN2O3S and molecular weight 355.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0003089.P001, 5-[(5-bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione, 1-(tert-butyl)-5-[(5-bromo(2-thienyl))methylene]-1,3-dihydropyrimidine-2,4,6-t rione, 5-[(5-bromo-2-thienyl)methylene]-1-tert-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C13H13BrN2O3S |
|---|---|
| Molecular Weight | 355.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.98303 |
| Heavy Atoms | 20 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 6239-39-0 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C(=CC2=CC=C(S2)Br)C(=O)NC1=O |
| InChIKey | CPCYOQACLZHUNG-UHFFFAOYSA-N |
Product Overview
5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione (CAS 6239-39-0), with molecular formula C13H13BrN2O3S and molecular weight 355.98 g/mol. IUPAC: 5-[(5-bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-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-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione is 6239-39-0.
What is the molecular formula of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione is C13H13BrN2O3S.
What is the molecular weight of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione is 355.98 g/mol.
Where can I buy 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-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-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.