![1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577964-36-4.png)
1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577964-36-4) is a chemical compound with molecular formula C16H26N4O3S and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-6-hydroxy-5-(3-morpholin-4-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(butan-2-yl)-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(sec-butyl)-5-(((3-morpholinopropyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C16H26N4O3S |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 1.72369 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.17258 |
| Heavy Atoms | 24 |
| Complexity | 676.8806 |
Chemical Identifiers
| CAS Number | 577964-36-4 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCCCN2CCOCC2)O |
Product Overview
1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577964-36-4), with molecular formula C16H26N4O3S and molecular weight 354.17 g/mol. IUPAC: 1-butan-2-yl-6-hydroxy-5-(3-morpholin-4-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.72369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 6 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-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 577964-36-4.
What is the molecular formula of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C16H26N4O3S.
What is the molecular weight of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 354.17 g/mol.
Where can I buy 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-butan-2-yl-5-[(3-morpholin-4-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-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.