![3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione structure](/static/products/354/354531-93-4.png)
3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
TL;DR: 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 354531-93-4) is a chemical compound with molecular formula C17H17BrO6 and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: 3-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, A2544/0108262, 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione, 9-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione
| Molecular Formula | C17H17BrO6 |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | 3.3071 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.02084 |
| Heavy Atoms | 24 |
| Complexity | 696.03613 |
Chemical Identifiers
| CAS Number | 354531-93-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C2C(=O)OC3(CCCCC3)OC2=O)Br)O |
Product Overview
3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 354531-93-4), with molecular formula C17H17BrO6 and molecular weight 396.02 g/mol. IUPAC: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
Property Insights of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
The XLogP value of 3.3071 indicates that 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione. Following Lipinski's Rule of Five, 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione has 1 hydrogen bond donor(s) and 6 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-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The CAS number of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is 354531-93-4.
What is the molecular formula of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular formula of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is C17H17BrO6.
What is the molecular weight of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular weight of 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione is 396.02 g/mol.
Where can I buy 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
You can request a quote for 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.