![(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/877/877777-00-9.png)
(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 877777-00-9) is a chemical compound with molecular formula C20H24N4O2S and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzylpiperidin-4-yl)iminomethyl]-1-cyclopropyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((1-benzylpiperidin-4-yl)amino)methylene)-1-cyclopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[(1-benzyl-4-piperidyl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H24N4O2S |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 3.02989 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.162 |
| Heavy Atoms | 27 |
| Complexity | 938.68945 |
Chemical Identifiers
| CAS Number | 877777-00-9 |
|---|---|
| SMILES | C1CC1N2C(=C(C(=O)NC2=S)C=NC3CCN(CC3)CC4=CC=CC=C4)O |
Product Overview
(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 877777-00-9), with molecular formula C20H24N4O2S and molecular weight 384.16 g/mol. IUPAC: 5-[(1-benzylpiperidin-4-yl)iminomethyl]-1-cyclopropyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.02989 indicates that (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-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 (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 877777-00-9.
What is the molecular formula of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C20H24N4O2S.
What is the molecular weight of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 384.16 g/mol.
Where can I buy (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-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 (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.