![1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577990-59-1.png)
1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577990-59-1) is a chemical compound with molecular formula C15H26N4O2S and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(butan-2-yl)-5-({[2-(diethylamino)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(sec-butyl)-5-(((2-(diethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H26N4O2S |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 2.34319 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.17764 |
| Heavy Atoms | 22 |
| Complexity | 616.949 |
Chemical Identifiers
| CAS Number | 577990-59-1 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCCN(CC)CC)O |
Product Overview
1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577990-59-1), with molecular formula C15H26N4O2S and molecular weight 326.18 g/mol. IUPAC: 1-butan-2-yl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.34319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-5-[(2-diethylaminoethylamino)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-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 577990-59-1.
What is the molecular formula of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C15H26N4O2S.
What is the molecular weight of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 326.18 g/mol.
Where can I buy 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-butan-2-yl-5-[(2-diethylaminoethylamino)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-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-5-[(2-diethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.