![(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/849/849910-38-9.png)
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 849910-38-9) is a chemical compound with molecular formula C23H22ClN3O2S and molecular weight 439.11 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-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(4-(azepan-1-yl)benzylidene)-1-(3-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H22ClN3O2S |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 4.5517 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.11212 |
| Heavy Atoms | 30 |
| Complexity | 1011.3632 |
Chemical Identifiers
| CAS Number | 849910-38-9 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl |
Product Overview
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 849910-38-9), with molecular formula C23H22ClN3O2S and molecular weight 439.11 g/mol. IUPAC: (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.5517 indicates that (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-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, (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-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 (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 849910-38-9.
What is the molecular formula of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C23H22ClN3O2S.
What is the molecular weight of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 439.11 g/mol.
Where can I buy (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-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-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.