![(5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/674/674366-99-5.png)
(5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 674366-99-5) is a chemical compound with molecular formula C18H18FN5O2S and molecular weight 387.12 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-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-Fluoro-benzyl)-5-[1-(3-imidazol-1-yl-propylamino)-meth-(E)-ylidene]-2-thioxo-dihydro-pyrimidine-4, 6-dione, 1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H18FN5O2S |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.50459 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.11652 |
| Heavy Atoms | 27 |
| Complexity | 1039.1042 |
Chemical Identifiers
| CAS Number | 674366-99-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=C(C(=O)NC2=S)C=NCCCN3C=CN=C3)O)F |
Product Overview
(5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 674366-99-5), with molecular formula C18H18FN5O2S and molecular weight 387.12 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.50459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-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)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 674366-99-5.
What is the molecular formula of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C18H18FN5O2S.
What is the molecular weight of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 387.12 g/mol.
Where can I buy (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-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)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.