(5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 799806-67-0) is a chemical compound with molecular formula C21H19ClN2O7 and molecular weight 446.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(3-chloro-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-1-(3-chloro-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, (Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(3-chloro-4-methoxy-phenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H19ClN2O7 |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | 3.0408 |
| Topological Polar Surface Area | 103.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.08807 |
| Heavy Atoms | 31 |
| Complexity | 1072.1261 |
Chemical Identifiers
| CAS Number | 799806-67-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)NC2=O)Cl |
Product Overview
(5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 799806-67-0), with molecular formula C21H19ClN2O7 and molecular weight 446.09 g/mol. IUPAC: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.0408 indicates that (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 799806-67-0.
What is the molecular formula of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H19ClN2O7.
What is the molecular weight of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 446.09 g/mol.
Where can I buy (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.