ChemDiv1_002253
TL;DR: ChemDiv1_002253 (CAS 330845-22-2) is a chemical compound with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: ChemDiv1_002253, (5E)-5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C19H15BrN2O5 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 3.13812 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.01642 |
| Heavy Atoms | 27 |
| Complexity | 982.33966 |
Chemical Identifiers
| CAS Number | 330845-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC(=C3)Br)OC)O)/C(=O)NC2=O |
Product Overview
ChemDiv1_002253 (CAS 330845-22-2), with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol. IUPAC: (5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of ChemDiv1_002253
Property Insights of ChemDiv1_002253
The XLogP value of 3.13812 indicates that ChemDiv1_002253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002253. Following Lipinski's Rule of Five, ChemDiv1_002253 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 ChemDiv1_002253?
The CAS number of ChemDiv1_002253 is 330845-22-2.
What is the molecular formula of ChemDiv1_002253?
The molecular formula of ChemDiv1_002253 is C19H15BrN2O5.
What is the molecular weight of ChemDiv1_002253?
The molecular weight of ChemDiv1_002253 is 430.02 g/mol.
Where can I buy ChemDiv1_002253?
You can request a quote for ChemDiv1_002253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002253?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.