3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate
TL;DR: 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate (CAS 92170-46-2) is a chemical compound with molecular formula C17H9BrO4 and molecular weight 355.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-1,4-dioxonaphthalen-2-yl) benzoate
Also Known As: 3-bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate, (3-bromo-1,4-dioxonaphthalen-2-yl) benzoate
| Molecular Formula | C17H9BrO4 |
|---|---|
| Molecular Weight | 355.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.9684 |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 92170-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C(=O)C3=CC=CC=C3C2=O)Br |
| InChIKey | AYPOZZQDFDPAQG-UHFFFAOYSA-N |
Product Overview
3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate (CAS 92170-46-2), with molecular formula C17H9BrO4 and molecular weight 355.97 g/mol. IUPAC: (3-bromo-1,4-dioxonaphthalen-2-yl) benzoate.
Chemical Property Profile of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate
Property Insights of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate
The XLogP value of 4.0 indicates that 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate. Following Lipinski's Rule of Five, 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate has 0 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-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate?
The CAS number of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate is 92170-46-2.
What is the molecular formula of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate?
The molecular formula of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate is C17H9BrO4.
What is the molecular weight of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate?
The molecular weight of 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate is 355.97 g/mol.
Where can I buy 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate?
You can request a quote for 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.