![4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate structure](/static/products/725/72570-93-5.png)
4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate
TL;DR: 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate (CAS 72570-93-5) is a chemical compound with molecular formula C22H23BrO3 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-oxonon-1-enyl]phenyl] 4-bromobenzoate
Also Known As: [4-[(E)-3-oxonon-1-enyl]phenyl] 4-bromobenzoate|4-[(1E)-3-OXONON-1-EN-1-YL]PHENYL 4-BROMOBENZOATE
| Molecular Formula | C22H23BrO3 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 6.221 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.08307 |
| Heavy Atoms | 26 |
| Complexity | 745.96173 |
Chemical Identifiers
| CAS Number | 72570-93-5 |
|---|---|
| SMILES | CCCCCCC(=O)/C=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br |
Product Overview
4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate (CAS 72570-93-5), with molecular formula C22H23BrO3 and molecular weight 414.08 g/mol. IUPAC: [4-[(E)-3-oxonon-1-enyl]phenyl] 4-bromobenzoate.
Chemical Property Profile of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate
Property Insights of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate
The XLogP value of 6.221 indicates that 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate?
The CAS number of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate is 72570-93-5.
What is the molecular formula of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate?
The molecular formula of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate is C22H23BrO3.
What is the molecular weight of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate?
The molecular weight of 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate is 414.08 g/mol.
Where can I buy 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate?
You can request a quote for 4-[(1E)-3-Oxonon-1-EN-1-YL]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-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-3-Oxonon-1-EN-1-YL]phenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.