![(5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE structure](/static/products/585/585563-66-2.png)
(5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
TL;DR: (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 585563-66-2) is a chemical compound with molecular formula C22H18FN3O2S and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-((1-(2-fluorobenzyl)-2-methyl-1H-indol-3-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H18FN3O2S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 3.39362 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.11038 |
| Heavy Atoms | 29 |
| Complexity | 1211.9878 |
Chemical Identifiers
| CAS Number | 585563-66-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3F)C=C4C(=O)NC(=S)N(C4=O)C |
Product Overview
(5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 585563-66-2), with molecular formula C22H18FN3O2S and molecular weight 407.11 g/mol. IUPAC: 5-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
Property Insights of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
The XLogP value of 3.39362 indicates that (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-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, (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE has 1 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 (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The CAS number of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 585563-66-2.
What is the molecular formula of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular formula of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is C22H18FN3O2S.
What is the molecular weight of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular weight of (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 407.11 g/mol.
Where can I buy (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
You can request a quote for (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-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 (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({1-[(2-FLUOROPHENYL)METHYL]-2-METHYLINDOL-3-YL}METHYLIDENE)-1-METHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.