![(5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/116/1164516-92-0.png)
(5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 1164516-92-0) is a chemical compound with molecular formula C21H27N3O2S and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (E)-5-(4-(azepan-1-yl)benzylidene)-1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[1-(4-Azepan-1-yl-phenyl)-meth-(E)-ylidene]-1-butyl-2-thioxo-dihydro-pyrimidine-4,6-dione
| Molecular Formula | C21H27N3O2S |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 3.4938 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1824 |
| Heavy Atoms | 27 |
| Complexity | 734.2985 |
Chemical Identifiers
| CAS Number | 1164516-92-0 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S |
Product Overview
(5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 1164516-92-0), with molecular formula C21H27N3O2S and molecular weight 385.18 g/mol. IUPAC: (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.4938 indicates that (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 1 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 (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 1164516-92-0.
What is the molecular formula of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C21H27N3O2S.
What is the molecular weight of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 385.18 g/mol.
Where can I buy (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-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-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.