2-Bromo-1,4-phenylene dibenzoate
TL;DR: 2-Bromo-1,4-phenylene dibenzoate (CAS 5541-49-1) is a chemical compound with molecular formula C20H13BrO4 and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-3-bromophenyl) benzoate
Also Known As: 2-bromo-1,4-phenylene dibenzoate, BAS 00498146, (4-benzoyloxy-3-bromophenyl) benzoate, 4-(BENZOYLOXY)-2-BROMOPHENYL BENZOATE, 2-bromo-4-phenylcarbonyloxyphenyl benzoate
| Molecular Formula | C20H13BrO4 |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 4.8875 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.99973 |
| Heavy Atoms | 25 |
| Complexity | 892.0844 |
Chemical Identifiers
| CAS Number | 5541-49-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)Br |
Product Overview
2-Bromo-1,4-phenylene dibenzoate (CAS 5541-49-1), with molecular formula C20H13BrO4 and molecular weight 396.00 g/mol. IUPAC: (4-benzoyloxy-3-bromophenyl) benzoate.
Chemical Property Profile of 2-Bromo-1,4-phenylene dibenzoate
Property Insights of 2-Bromo-1,4-phenylene dibenzoate
The XLogP value of 4.8875 indicates that 2-Bromo-1,4-phenylene dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Bromo-1,4-phenylene dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,4-phenylene dibenzoate has 0 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 2-Bromo-1,4-phenylene dibenzoate?
The CAS number of 2-Bromo-1,4-phenylene dibenzoate is 5541-49-1.
What is the molecular formula of 2-Bromo-1,4-phenylene dibenzoate?
The molecular formula of 2-Bromo-1,4-phenylene dibenzoate is C20H13BrO4.
What is the molecular weight of 2-Bromo-1,4-phenylene dibenzoate?
The molecular weight of 2-Bromo-1,4-phenylene dibenzoate is 396.00 g/mol.
Where can I buy 2-Bromo-1,4-phenylene dibenzoate?
You can request a quote for 2-Bromo-1,4-phenylene dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,4-phenylene dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,4-phenylene dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.