![(5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione structure](/static/products/116/1164553-62-1.png)
(5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione (CAS 1164553-62-1) is a chemical compound with molecular formula C17H18FN3O3S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione, (E)-1-(4-fluorobenzyl)-5-((((tetrahydrofuran-2-yl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-Fluoro-benzyl)-5-[1-[(tetrahydro-furan-2-ylmethyl)-amino]-meth-(E)-ylidene]-2-thioxo-dihydro-pyrimi dine-4,6-dione, 1-[(4-fluorophenyl)methyl]-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H18FN3O3S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.39679 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1053 |
| Heavy Atoms | 25 |
| Complexity | 883.4916 |
Chemical Identifiers
| CAS Number | 1164553-62-1 |
|---|---|
| SMILES | C1CC(OC1)CN=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
(5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione (CAS 1164553-62-1), with molecular formula C17H18FN3O3S and molecular weight 363.11 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.39679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 5 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)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is 1164553-62-1.
What is the molecular formula of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is C17H18FN3O3S.
What is the molecular weight of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is 363.11 g/mol.
Where can I buy (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-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 (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.