4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid
TL;DR: 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid (CAS 87700-24-1) is a chemical compound with molecular formula C16H11BrO4 and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-bromophenyl)phenyl]-2,4-dioxobutanoic acid
Also Known As: 4-Bbdb, 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid, 4-(4'-bromobiphenyl-4-yl)-2,4-dioxobutanoic acid, 4-(4-(4-bromophenyl)phenyl)-2,4-dioxobutanoic acid, 4-[4-(4-bromophenyl)phenyl]-2,4-dioxobutanoic acid
| Molecular Formula | C16H11BrO4 |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.98407 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 87700-24-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CC(=O)C(=O)O |
| InChIKey | DTDXWQRLXRCGOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid (CAS 87700-24-1), with molecular formula C16H11BrO4 and molecular weight 345.98 g/mol. IUPAC: 4-[4-(4-bromophenyl)phenyl]-2,4-dioxobutanoic acid.
Chemical Property Profile of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid
Property Insights of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid
The XLogP value of 3.5 indicates that 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid. Following Lipinski's Rule of Five, 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid 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 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid?
The CAS number of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid is 87700-24-1.
What is the molecular formula of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid?
The molecular formula of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid is C16H11BrO4.
What is the molecular weight of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid?
The molecular weight of 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid is 345.98 g/mol.
Where can I buy 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid?
You can request a quote for 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4'-Bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.