![(5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/674/674294-53-2.png)
(5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 674294-53-2) is a chemical compound with molecular formula C22H32N4O4S and molecular weight 448.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(diethylamino)propyliminomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[[3-(diethylamino)propylamino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((3-(diethylamino)propyl)amino)methylene)-1-(3,4-dimethoxyphenethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[3-(diethylamino)propylamino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H32N4O4S |
|---|---|
| Molecular Weight | 448.21 g/mol |
| LogP | 3.02219 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 448.21442 |
| Heavy Atoms | 31 |
| Complexity | 995.981 |
Chemical Identifiers
| CAS Number | 674294-53-2 |
|---|---|
| SMILES | CCN(CC)CCCN=CC1=C(N(C(=S)NC1=O)CCC2=CC(=C(C=C2)OC)OC)O |
Product Overview
(5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 674294-53-2), with molecular formula C22H32N4O4S and molecular weight 448.21 g/mol. IUPAC: 5-[3-(diethylamino)propyliminomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.02219 indicates that (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 7 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-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 674294-53-2.
What is the molecular formula of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C22H32N4O4S.
What is the molecular weight of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 448.21 g/mol.
Where can I buy (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-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-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.