4-(2-Bromopropanoyl)phenyl benzoate
TL;DR: 4-(2-Bromopropanoyl)phenyl benzoate (CAS 35282-40-7) is a chemical compound with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-bromopropanoyl)phenyl] benzoate
Also Known As: 4-(2-bromopropanoyl)phenyl benzoate, [4-(2-bromopropanoyl)phenyl] benzoate, 1-[4-(benzoyloxy)phenyl]-2-bromo-1-propanone, BENZO(ghi)PERYLENE,5,6,7,8,9,10-HEXAHYDRO, RefChem:287128
| Molecular Formula | C16H13BrO3 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.00482 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 35282-40-7 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)Br |
| InChIKey | RVZGNNYQEQMALE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Bromopropanoyl)phenyl benzoate (CAS 35282-40-7), with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol. IUPAC: [4-(2-bromopropanoyl)phenyl] benzoate.
Chemical Property Profile of 4-(2-Bromopropanoyl)phenyl benzoate
Property Insights of 4-(2-Bromopropanoyl)phenyl benzoate
The XLogP value of 4.5 indicates that 4-(2-Bromopropanoyl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(2-Bromopropanoyl)phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromopropanoyl)phenyl benzoate has 0 hydrogen bond donor(s) and 3 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-(2-Bromopropanoyl)phenyl benzoate?
The CAS number of 4-(2-Bromopropanoyl)phenyl benzoate is 35282-40-7.
What is the molecular formula of 4-(2-Bromopropanoyl)phenyl benzoate?
The molecular formula of 4-(2-Bromopropanoyl)phenyl benzoate is C16H13BrO3.
What is the molecular weight of 4-(2-Bromopropanoyl)phenyl benzoate?
The molecular weight of 4-(2-Bromopropanoyl)phenyl benzoate is 332.00 g/mol.
Where can I buy 4-(2-Bromopropanoyl)phenyl benzoate?
You can request a quote for 4-(2-Bromopropanoyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromopropanoyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromopropanoyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.