![(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/587/587004-40-8.png)
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 587004-40-8) is a chemical compound with molecular formula C28H23N3O2S and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(naphthalen-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C28H23N3O2S |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 5.38706 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.1511 |
| Heavy Atoms | 34 |
| Complexity | 1507.4485 |
Chemical Identifiers
| CAS Number | 587004-40-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC5=CC=CC=C54)C |
Product Overview
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 587004-40-8), with molecular formula C28H23N3O2S and molecular weight 465.15 g/mol. IUPAC: (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 5.38706 indicates that (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-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-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-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-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-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-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 587004-40-8.
What is the molecular formula of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C28H23N3O2S.
What is the molecular weight of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 465.15 g/mol.
Where can I buy (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-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-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-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-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-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.