![(5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/593/593275-39-9.png)
(5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 593275-39-9) is a chemical compound with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(2,3-dimethylphenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-1-(2,3-dimethylphenyl)-5-((1-(4-hydroxyphenyl)-1H-pyrrol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H19N3O3S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 3.63104 |
| Topological Polar Surface Area | 74.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.11472 |
| Heavy Atoms | 30 |
| Complexity | 1208.6862 |
Chemical Identifiers
| CAS Number | 593275-39-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)O)/C(=O)NC2=S)C |
Product Overview
(5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 593275-39-9), with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol. IUPAC: (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.63104 indicates that (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-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 74.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 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-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 593275-39-9.
What is the molecular formula of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C23H19N3O3S.
What is the molecular weight of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 417.11 g/mol.
Where can I buy (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-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-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(2,3-dimethylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.