![5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/3270/327085-32-5.webp)
5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 327085-32-5) is a chemical compound with molecular formula C18H14F3N3O2S and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-((2,5-Dimethyl-1-(2-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-({2,5-DIMETHYL-1-[2-(TRIFLUOROMETHYL)PHENYL]PYRROL-3-YL}METHYLIDENE)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C18H14F3N3O2S |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 3.02724 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.0759 |
| Heavy Atoms | 27 |
| Complexity | 983.7662 |
Chemical Identifiers
| CAS Number | 327085-32-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=O)NC(=S)NC3=O |
Product Overview
5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 327085-32-5), with molecular formula C18H14F3N3O2S and molecular weight 393.08 g/mol. IUPAC: 5-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.02724 indicates that 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-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 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 3 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 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is 327085-32-5.
What is the molecular formula of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H14F3N3O2S.
What is the molecular weight of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is 393.08 g/mol.
Where can I buy 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-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 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-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.