![1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/672/672945-26-5.png)
1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 672945-26-5) is a chemical compound with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-cyclopropyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-cyclopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C14H17N5O2S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 1.65209 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.1103 |
| Heavy Atoms | 22 |
| Complexity | 786.5499 |
Chemical Identifiers
| CAS Number | 672945-26-5 |
|---|---|
| SMILES | C1CC1N2C(=C(C(=O)NC2=S)C=NCCCN3C=CN=C3)O |
Product Overview
1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 672945-26-5), with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol. IUPAC: 1-cyclopropyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.65209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 5 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-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 672945-26-5.
What is the molecular formula of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H17N5O2S.
What is the molecular weight of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 319.11 g/mol.
Where can I buy 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)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-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclopropyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.