![1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/585/585563-54-8.png)
1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 585563-54-8) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-hydroxy-5-(1-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-cyclopropyl-5-{[(1-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-1-cyclopropyl-5-(((1-phenylethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-Cyclopropyl-5-[1-(1-phenyl-ethylamino)-meth-(Z)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 3.12649 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 819.51996 |
Chemical Identifiers
| CAS Number | 585563-54-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N=CC2=C(N(C(=S)NC2=O)C3CC3)O |
Product Overview
1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 585563-54-8), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 1-cyclopropyl-6-hydroxy-5-(1-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.12649 indicates that 1-cyclopropyl-5-[(1-phenylethylamino)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-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-cyclopropyl-5-[(1-phenylethylamino)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-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 585563-54-8.
What is the molecular formula of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C16H17N3O2S.
What is the molecular weight of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 315.10 g/mol.
Where can I buy 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-cyclopropyl-5-[(1-phenylethylamino)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-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclopropyl-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.