5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone
TL;DR: 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone (CAS 331002-57-4) is a chemical compound with molecular formula C11H8Br2N2O3S and molecular weight 405.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3,5-dibromo-2-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-(3,5-dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone, (5Z)-5-[(3,5-dibromo-2-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C11H8Br2N2O3S |
|---|---|
| Molecular Weight | 405.86 g/mol |
| LogP | 2.271 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.86224 |
| Heavy Atoms | 19 |
| Complexity | 616.4481 |
Chemical Identifiers
| CAS Number | 331002-57-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1Br)O)/C=C\2/C(=O)NC(=S)N2)Br |
Product Overview
5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone (CAS 331002-57-4), with molecular formula C11H8Br2N2O3S and molecular weight 405.86 g/mol. IUPAC: (5Z)-5-[(3,5-dibromo-2-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone
Property Insights of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone
The XLogP value of 2.271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone. Following Lipinski's Rule of Five, 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone has 3 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 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
The CAS number of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone is 331002-57-4.
What is the molecular formula of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
The molecular formula of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone is C11H8Br2N2O3S.
What is the molecular weight of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
The molecular weight of 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone is 405.86 g/mol.
Where can I buy 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
You can request a quote for 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Dibromo-2-hydroxy-4-methoxybenzylidene)-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.