![5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/590/590380-75-9.png)
5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 590380-75-9) 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]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-((1-(2-fluorobenzyl)-1H-indol-3-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-({1-[(2-fluorophenyl)methyl]indol-3-yl}methylene)-1,3-dimethyl-2-thioxo-1,3- dihydropyrimidine-4,6-dione
| Molecular Formula | C22H18FN3O2S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 3.4274 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.11038 |
| Heavy Atoms | 29 |
| Complexity | 1171.7405 |
Chemical Identifiers
| CAS Number | 590380-75-9 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F)C(=O)N(C1=S)C |
Product Overview
5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 590380-75-9), with molecular formula C22H18FN3O2S and molecular weight 407.11 g/mol. IUPAC: 5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.4274 indicates that 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.55 Ų, 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 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-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 590380-75-9.
What is the molecular formula of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C22H18FN3O2S.
What is the molecular weight of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 407.11 g/mol.
Where can I buy 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.