![(5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/4985/498560-26-2.webp)
(5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 498560-26-2) is a chemical compound with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(3-bromophenyl)-5-{[2,5-dimethyl-1-(5-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H19BrN4O2S |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 4.39136 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.0412 |
| Heavy Atoms | 31 |
| Complexity | 1261.0809 |
Chemical Identifiers
| CAS Number | 498560-26-2 |
|---|---|
| SMILES | CC1=CN=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br)C |
Product Overview
(5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 498560-26-2), with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol. IUPAC: (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.39136 indicates that (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-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)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 498560-26-2.
What is the molecular formula of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C23H19BrN4O2S.
What is the molecular weight of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 494.04 g/mol.
Where can I buy (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-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)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(3-bromophenyl)-5-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.