3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate
TL;DR: 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate (CAS 24744-57-8) is a chemical compound with molecular formula C10H10Br2O4 and molecular weight 351.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Also Known As: 2-[bis(2-hydroxyethyl)-octadecylazaniumyl]acetate, 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate, ethyl(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate, 2,6-Dibromo-4-carboethoxymethyl-4-hydroxy-2,5-cyclohexadienon, Ethyl (3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
| Molecular Formula | C10H10Br2O4 |
|---|---|
| Molecular Weight | 351.89 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.89252 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 24744-57-8 |
|---|---|
| SMILES | CCOC(=O)CC1(C=C(C(=O)C(=C1)Br)Br)O |
| InChIKey | LXZLYHJZZYJITG-UHFFFAOYSA-N |
Product Overview
3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate (CAS 24744-57-8), with molecular formula C10H10Br2O4 and molecular weight 351.89 g/mol. IUPAC: ethyl 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate.
Chemical Property Profile of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate
Property Insights of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate. Following Lipinski's Rule of Five, 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate 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 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate?
The CAS number of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate is 24744-57-8.
What is the molecular formula of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate?
The molecular formula of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate is C10H10Br2O4.
What is the molecular weight of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate?
The molecular weight of 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate is 351.89 g/mol.
Where can I buy 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate?
You can request a quote for 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.