![(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/846/846063-87-4.png)
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 846063-87-4) is a chemical compound with molecular formula C27H25N3O2S and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C27H25N3O2S |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 5.0515 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.16675 |
| Heavy Atoms | 33 |
| Complexity | 1252.6064 |
Chemical Identifiers
| CAS Number | 846063-87-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC5=CC=CC=C54 |
Product Overview
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 846063-87-4), with molecular formula C27H25N3O2S and molecular weight 455.17 g/mol. IUPAC: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 5.0515 indicates that (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-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, (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 846063-87-4.
What is the molecular formula of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C27H25N3O2S.
What is the molecular weight of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 455.17 g/mol.
Where can I buy (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-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 (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.