![(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/116/1164510-33-1.png)
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1164510-33-1) 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.
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[1-(4-Azepan-1-yl-phenyl)-meth-(Z)-ylidene]-1-sec-butyl-2-thioxo-dihydro-pyrimidine-4,6-dione, (5Z)-5-[4-(azepan-1-yl)benzylidene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone, (5Z)-5-[[4-(1-azepanyl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(sec-butyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H27N3O2S |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 3.4922 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.1824 |
| Heavy Atoms | 27 |
| Complexity | 749.1951 |
Chemical Identifiers
| CAS Number | 1164510-33-1 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C\C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S |
Product Overview
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1164510-33-1), with molecular formula C21H27N3O2S and molecular weight 385.18 g/mol. IUPAC: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.4922 indicates that (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-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-butan-2-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-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-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 (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 1164510-33-1.
What is the molecular formula of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H27N3O2S.
What is the molecular weight of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 385.18 g/mol.
Where can I buy (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butan-2-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-butan-2-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-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.