BIM-0049778.P001
TL;DR: BIM-0049778.P001 (CAS 6012-49-3) is a chemical compound with molecular formula C13H10BrIN2O4 and molecular weight 463.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0049778.P001, 5-(3-bromo-4-hydroxy-5-iodobenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(3-bromo-4-hydroxy-5-iodobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H10BrIN2O4 |
|---|---|
| Molecular Weight | 463.89 g/mol |
| LogP | 2.1931 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 463.88687 |
| Heavy Atoms | 21 |
| Complexity | 652.40686 |
Chemical Identifiers
| CAS Number | 6012-49-3 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC(=C(C(=C2)I)O)Br)C(=O)N(C1=O)C |
Product Overview
BIM-0049778.P001 (CAS 6012-49-3), with molecular formula C13H10BrIN2O4 and molecular weight 463.89 g/mol. IUPAC: 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0049778.P001
Property Insights of BIM-0049778.P001
The XLogP value of 2.1931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0049778.P001. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049778.P001. Following Lipinski's Rule of Five, BIM-0049778.P001 has 1 hydrogen bond donor(s) and 4 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 BIM-0049778.P001?
The CAS number of BIM-0049778.P001 is 6012-49-3.
What is the molecular formula of BIM-0049778.P001?
The molecular formula of BIM-0049778.P001 is C13H10BrIN2O4.
What is the molecular weight of BIM-0049778.P001?
The molecular weight of BIM-0049778.P001 is 463.89 g/mol.
Where can I buy BIM-0049778.P001?
You can request a quote for BIM-0049778.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049778.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049778.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.