![(5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/714/714232-96-9.png)
(5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 714232-96-9) is a chemical compound with molecular formula C20H22FN3O2S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[[2-(cyclohexen-1-yl)ethylamino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[2-(cyclohexen-1-yl)ethylamino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H22FN3O2S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 4.10829 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.14166 |
| Heavy Atoms | 27 |
| Complexity | 974.20184 |
Chemical Identifiers
| CAS Number | 714232-96-9 |
|---|---|
| SMILES | C1CCC(=CC1)CCN=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
(5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 714232-96-9), with molecular formula C20H22FN3O2S and molecular weight 387.14 g/mol. IUPAC: 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.10829 indicates that (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 4 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-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 714232-96-9.
What is the molecular formula of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C20H22FN3O2S.
What is the molecular weight of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 387.14 g/mol.
Where can I buy (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-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)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.