![1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/674/674362-96-0.png)
1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 674362-96-0) is a chemical compound with molecular formula C14H21N3O3S and molecular weight 311.13 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-(oxolan-2-ylmethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(butan-2-yl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione, (5E)-1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(sec-butyl)-5-((((tetrahydrofuran-2-yl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-sec-Butyl-5-[1-[(tetrahydro-furan-2-ylmethyl)-amino]-meth-(E)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6 -dione
| Molecular Formula | C14H21N3O3S |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.18039 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.13037 |
| Heavy Atoms | 21 |
| Complexity | 629.3319 |
Chemical Identifiers
| CAS Number | 674362-96-0 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCC2CCCO2)O |
Product Overview
1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 674362-96-0), with molecular formula C14H21N3O3S and molecular weight 311.13 g/mol. IUPAC: 1-butan-2-yl-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.18039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)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-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 674362-96-0.
What is the molecular formula of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H21N3O3S.
What is the molecular weight of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 311.13 g/mol.
Where can I buy 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)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-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.