![(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione structure](/static/products/586/586993-44-4.png)
(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
TL;DR: (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 586993-44-4) is a chemical compound with molecular formula C27H26ClN3O5 and molecular weight 507.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione, (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (Z)-5-((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-(3,4-dimethoxyphenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C27H26ClN3O5 |
|---|---|
| Molecular Weight | 507.16 g/mol |
| LogP | 4.46924 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.1561 |
| Heavy Atoms | 36 |
| Complexity | 1374.7911 |
Chemical Identifiers
| CAS Number | 586993-44-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C\3/C(=O)NC(=O)N(C3=O)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 586993-44-4), with molecular formula C27H26ClN3O5 and molecular weight 507.16 g/mol. IUPAC: (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
Property Insights of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
The XLogP value of 4.46924 indicates that (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The CAS number of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is 586993-44-4.
What is the molecular formula of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is C27H26ClN3O5.
What is the molecular weight of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is 507.16 g/mol.
Where can I buy (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-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 (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.