![5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid structure](/static/products/7805/78050-56-3.webp)
5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
TL;DR: 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid (CAS 78050-56-3) is a chemical compound with molecular formula C16H11BrO6 and molecular weight 377.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(5-bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
Also Known As: 5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid, BENZOIC ACID, 5-(3-(5-BROMO-2,4-DIHYDROXYPHENYL)-3-OXO-1-PROPENYL)-2-HYDROXY-
| Molecular Formula | C16H11BrO6 |
|---|---|
| Molecular Weight | 377.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.9739 |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 78050-56-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)C2=CC(=C(C=C2O)O)Br)C(=O)O)O |
| InChIKey | JSUDHEGPDOJCMT-UHFFFAOYSA-N |
Product Overview
5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid (CAS 78050-56-3), with molecular formula C16H11BrO6 and molecular weight 377.97 g/mol. IUPAC: 5-[3-(5-bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid.
Chemical Property Profile of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
Property Insights of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
The XLogP value of 3.9 indicates that 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid has 4 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 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid?
The CAS number of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid is 78050-56-3.
What is the molecular formula of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid?
The molecular formula of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid is C16H11BrO6.
What is the molecular weight of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid?
The molecular weight of 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid is 377.97 g/mol.
Where can I buy 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid?
You can request a quote for 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid 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-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.