![(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/586/586997-11-7.png)
(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586997-11-7) is a chemical compound with molecular formula C27H20ClN3O2S and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(naphthalen-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C27H20ClN3O2S |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 5.73204 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.09647 |
| Heavy Atoms | 34 |
| Complexity | 1513.6725 |
Chemical Identifiers
| CAS Number | 586997-11-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC5=CC=CC=C54 |
Product Overview
(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586997-11-7), with molecular formula C27H20ClN3O2S and molecular weight 485.10 g/mol. IUPAC: (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 5.73204 indicates that (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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 54.34 Ų, (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 hydrogen bond donor(s) and 3 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-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 586997-11-7.
What is the molecular formula of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C27H20ClN3O2S.
What is the molecular weight of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 485.10 g/mol.
Where can I buy (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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.