![[4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate structure](/static/products/5210/5210-59-3.webp)
[4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate
TL;DR: [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate (CAS 5210-59-3) is a chemical compound with molecular formula C20H12BrNO3 and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenoxy)phenyl] 4-bromobenzoate
Also Known As: 4-(4-cyanophenoxy)phenyl 4-bromobenzoate, [4-(4-cyanophenoxy)phenyl] 4-bromobenzoate, BAS 00121143, 4-Bromo-benzoic acid 4-(4-cyano-phenoxy)-phenyl ester
| Molecular Formula | C20H12BrNO3 |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 5.33228 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.00006 |
| Heavy Atoms | 25 |
| Complexity | 911.15515 |
Chemical Identifiers
| CAS Number | 5210-59-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
[4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate (CAS 5210-59-3), with molecular formula C20H12BrNO3 and molecular weight 393.00 g/mol. IUPAC: [4-(4-cyanophenoxy)phenyl] 4-bromobenzoate.
Chemical Property Profile of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate
Property Insights of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate
The XLogP value of 5.33228 indicates that [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate?
The CAS number of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate is 5210-59-3.
What is the molecular formula of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate?
The molecular formula of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate is C20H12BrNO3.
What is the molecular weight of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate?
The molecular weight of [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate is 393.00 g/mol.
Where can I buy [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate?
You can request a quote for [4-(4-Cyanophenoxy)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 [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Cyanophenoxy)phenyl] 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.