Phenyl 4-bromobenzoate
TL;DR: Phenyl 4-bromobenzoate (CAS 5798-76-5) is a chemical compound with molecular formula C13H9BrO2 and molecular weight 275.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-bromobenzoate
Also Known As: phenyl 4-bromobenzoate, Phenyl p-bromobenzoate, 4-Bromo-benzoic acid phenyl ester, Benzoic acid, 4-bromo-, phenyl ester, Benzoic acid, p-bromo-, phenyl ester
| Molecular Formula | C13H9BrO2 |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.97858 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5798-76-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br |
| InChIKey | GKOPHSXEQSIHQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 4-bromobenzoate (CAS 5798-76-5), with molecular formula C13H9BrO2 and molecular weight 275.98 g/mol. IUPAC: phenyl 4-bromobenzoate.
Chemical Property Profile of Phenyl 4-bromobenzoate
Property Insights of Phenyl 4-bromobenzoate
The XLogP value of 4.3 indicates that Phenyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl 4-bromobenzoate?
The CAS number of Phenyl 4-bromobenzoate is 5798-76-5.
What is the molecular formula of Phenyl 4-bromobenzoate?
The molecular formula of Phenyl 4-bromobenzoate is C13H9BrO2.
What is the molecular weight of Phenyl 4-bromobenzoate?
The molecular weight of Phenyl 4-bromobenzoate is 275.98 g/mol.
Where can I buy Phenyl 4-bromobenzoate?
You can request a quote for Phenyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.