![1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/714/714238-75-2.png)
1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714238-75-2) is a chemical compound with molecular formula C14H12BrN3O2S and molecular weight 364.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-5-(cyclopropyliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (E)-1-(3-bromophenyl)-5-((cyclopropylamino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C14H12BrN3O2S |
|---|---|
| Molecular Weight | 364.98 g/mol |
| LogP | 2.94449 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.98337 |
| Heavy Atoms | 21 |
| Complexity | 836.84326 |
Chemical Identifiers
| CAS Number | 714238-75-2 |
|---|---|
| SMILES | C1CC1N=CC2=C(N(C(=S)NC2=O)C3=CC(=CC=C3)Br)O |
Product Overview
1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714238-75-2), with molecular formula C14H12BrN3O2S and molecular weight 364.98 g/mol. IUPAC: 1-(3-bromophenyl)-5-(cyclopropyliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.94449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 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 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 714238-75-2.
What is the molecular formula of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H12BrN3O2S.
What is the molecular weight of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 364.98 g/mol.
Where can I buy 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-bromophenyl)-5-[(cyclopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.