4-(4-Bromophenoxy)benzoic acid
TL;DR: 4-(4-Bromophenoxy)benzoic acid (CAS 21120-68-3) is a chemical compound with molecular formula C13H9BrO3 and molecular weight 291.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenoxy)benzoic acid
Also Known As: 4-(4-Bromophenoxy)benzoic acid, 3-Nitrobutyrophenone, Benzoic acid, 4-(4-bromophenoxy)-, 4-(4-Bromophenoxy)benzoicacid, Benzoic acid,4-(4-bromophenoxy)
| Molecular Formula | C13H9BrO3 |
|---|---|
| Molecular Weight | 291.97 g/mol |
| LogP | 3.9396 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.9735 |
| Heavy Atoms | 17 |
| Complexity | 517.3658 |
Chemical Identifiers
| CAS Number | 21120-68-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)Br |
Product Overview
4-(4-Bromophenoxy)benzoic acid (CAS 21120-68-3), with molecular formula C13H9BrO3 and molecular weight 291.97 g/mol. IUPAC: 4-(4-bromophenoxy)benzoic acid.
Chemical Property Profile of 4-(4-Bromophenoxy)benzoic acid
Property Insights of 4-(4-Bromophenoxy)benzoic acid
The XLogP value of 3.9396 indicates that 4-(4-Bromophenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(4-Bromophenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenoxy)benzoic acid has 1 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-(4-Bromophenoxy)benzoic acid?
The CAS number of 4-(4-Bromophenoxy)benzoic acid is 21120-68-3.
What is the molecular formula of 4-(4-Bromophenoxy)benzoic acid?
The molecular formula of 4-(4-Bromophenoxy)benzoic acid is C13H9BrO3.
What is the molecular weight of 4-(4-Bromophenoxy)benzoic acid?
The molecular weight of 4-(4-Bromophenoxy)benzoic acid is 291.97 g/mol.
Where can I buy 4-(4-Bromophenoxy)benzoic acid?
You can request a quote for 4-(4-Bromophenoxy)benzoic 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-Bromophenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.