![(5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate structure](/static/products/849/849918-77-0.png)
(5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
TL;DR: (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate (CAS 849918-77-0) is a chemical compound with molecular formula C18H15ClN4O3 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)pyrimidine-2,4-dione
Also Known As: (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate, (5E)-1-(3-chloro-4-methylphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, (E)-1-(3-chloro-4-methylphenyl)-5-(((pyridin-3-ylmethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(3-chloro-4-methyl-phenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, 1-(3-chloro-4-methylphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H15ClN4O3 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 2.20732 |
| Topological Polar Surface Area | 100.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.08328 |
| Heavy Atoms | 26 |
| Complexity | 1087.8257 |
Chemical Identifiers
| CAS Number | 849918-77-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=O)C=NCC3=CN=CC=C3)O)Cl |
Product Overview
(5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate (CAS 849918-77-0), with molecular formula C18H15ClN4O3 and molecular weight 370.08 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Property Insights of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
The XLogP value of 2.20732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate. The TPSA of 100.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate. Following Lipinski's Rule of Five, (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate has 2 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 (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate?
The CAS number of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate is 849918-77-0.
What is the molecular formula of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate?
The molecular formula of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate is C18H15ClN4O3.
What is the molecular weight of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate?
The molecular weight of (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate is 370.08 g/mol.
Where can I buy (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate?
You can request a quote for (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3-chloro-4-methylphenyl)-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.