(E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 872546-24-2) is a chemical compound with molecular formula C22H23N5O5 and molecular weight 437.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-[(E)-2-{2,5-dimethyl-1-[4-(morpholin-4-yl)phenyl]-1H-pyrrol-3-yl}ethenyl]-5-nitropyrimidine-4,6-diol, 2-[(E)-2-{2,5-dimethyl-1-[4-(morpholin-4-yl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
| Molecular Formula | C22H23N5O5 |
|---|---|
| Molecular Weight | 437.17 g/mol |
| LogP | 2.79824 |
| Topological Polar Surface Area | 126.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.16992 |
| Heavy Atoms | 32 |
| Complexity | 1236.8329 |
Chemical Identifiers
| CAS Number | 872546-24-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C/C4=NC(=C(C(=O)N4)[N+](=O)[O-])O |
Product Overview
(E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 872546-24-2), with molecular formula C22H23N5O5 and molecular weight 437.17 g/mol. IUPAC: 2-[(E)-2-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 2.79824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. The TPSA of 126.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one 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 (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 872546-24-2.
What is the molecular formula of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is C22H23N5O5.
What is the molecular weight of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 437.17 g/mol.
Where can I buy (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(2,5-dimethyl-1-(4-morpholinophenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.