(Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 799784-77-3) is a chemical compound with molecular formula C23H20ClN3O5 and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H20ClN3O5 |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 3.78392 |
| Topological Polar Surface Area | 93.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.10916 |
| Heavy Atoms | 32 |
| Complexity | 1196.1998 |
Chemical Identifiers
| CAS Number | 799784-77-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCN2C=CC=C2/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4)Cl |
Product Overview
(Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 799784-77-3), with molecular formula C23H20ClN3O5 and molecular weight 453.11 g/mol. IUPAC: (5Z)-5-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.78392 indicates that (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 5 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 (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 799784-77-3.
What is the molecular formula of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C23H20ClN3O5.
What is the molecular weight of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 453.11 g/mol.
Where can I buy (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)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 (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-((1-(2-(4-chloro-3-methylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.