4-Bromobenzoate
TL;DR: 4-Bromobenzoate (CAS 16449-27-7) is a chemical compound with molecular formula C7H4BrO2- and molecular weight 198.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobenzoate
Also Known As: 4-bromobenzoate, p-bromobenzoate, p-Bromobenzoate ion, p-Bromobenzoate anion, pBr-benzoate anion
| Molecular Formula | C7H4BrO2- |
|---|---|
| Molecular Weight | 198.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.93947 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 16449-27-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])Br |
| InChIKey | TUXYZHVUPGXXQG-UHFFFAOYSA-M |
Product Overview
4-Bromobenzoate (CAS 16449-27-7), with molecular formula C7H4BrO2- and molecular weight 198.94 g/mol. IUPAC: 4-bromobenzoate.
Chemical Property Profile of 4-Bromobenzoate
Property Insights of 4-Bromobenzoate
The XLogP value of 3.5 indicates that 4-Bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 4-Bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzoate has 0 hydrogen bond donor(s) and 2 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-Bromobenzoate?
The CAS number of 4-Bromobenzoate is 16449-27-7.
What is the molecular formula of 4-Bromobenzoate?
The molecular formula of 4-Bromobenzoate is C7H4BrO2-.
What is the molecular weight of 4-Bromobenzoate?
The molecular weight of 4-Bromobenzoate is 198.94 g/mol.
Where can I buy 4-Bromobenzoate?
You can request a quote for 4-Bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.