![1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/714/714247-12-8.png)
1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714247-12-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 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-(2-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-sec-Butyl-5-[1-phenethylamino-meth-(Z)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione, (5E)-1-(butan-2-yl)-5-{[(2-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.24409 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 793.7211 |
Chemical Identifiers
| CAS Number | 714247-12-8 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCCC2=CC=CC=C2)O |
Product Overview
1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714247-12-8), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 1-butan-2-yl-6-hydroxy-5-(2-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.24409 indicates that 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 4 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-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 714247-12-8.
What is the molecular formula of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C17H21N3O2S.
What is the molecular weight of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 331.14 g/mol.
Where can I buy 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-butan-2-yl-5-[(phenethylamino)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-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.