![(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/116/1164556-70-0.png)
(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164556-70-0) is a chemical compound with molecular formula C21H25N5O5 and molecular weight 427.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
Also Known As: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione, (E)-5-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-(3,4-dimethoxyphenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5-[1-(3-imidazol-1-yl-propylamino)-meth-(E)-ylidene]-pyrimidine-2,4, 6-trione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H25N5O5 |
|---|---|
| Molecular Weight | 427.19 g/mol |
| LogP | 1.2078 |
| Topological Polar Surface Area | 123.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.18558 |
| Heavy Atoms | 31 |
| Complexity | 1147.9525 |
Chemical Identifiers
| CAS Number | 1164556-70-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C=NCCCN3C=CN=C3)O)OC |
Product Overview
(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164556-70-0), with molecular formula C21H25N5O5 and molecular weight 427.19 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 1.2078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 123.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione 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)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione is 1164556-70-0.
What is the molecular formula of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione is C21H25N5O5.
What is the molecular weight of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione is 427.19 g/mol.
Where can I buy (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.