![1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/586/586995-57-5.png)
1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586995-57-5) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-5-(furan-2-ylmethyliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(butan-2-yl)-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-butan-2-yl-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(sec-butyl)-5-(((furan-2-ylmethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-butan-2-yl-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.79459 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 743.8101 |
Chemical Identifiers
| CAS Number | 586995-57-5 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCC2=CC=CO2)O |
Product Overview
1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586995-57-5), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: 1-butan-2-yl-5-(furan-2-ylmethyliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.79459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-5-[(2-furylmethylamino)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-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 586995-57-5.
What is the molecular formula of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H17N3O3S.
What is the molecular weight of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 307.10 g/mol.
Where can I buy 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-butan-2-yl-5-[(2-furylmethylamino)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-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-5-[(2-furylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.