3'-Benzoyloxy-2-bromoacetophenone
TL;DR: 3'-Benzoyloxy-2-bromoacetophenone (CAS 139-27-5) is a chemical compound with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-bromoacetyl)phenyl] benzoate
Also Known As: Acetophenone, benzoate, 3-(2-Bromoacetyl)phenyl benzoate, 3'-(Benzoyloxy)-2-bromoacetophenone, [3-(2-bromoacetyl)phenyl] benzoate, 3-(Bromoacetyl)phenyl benzoate
| Molecular Formula | C15H11BrO3 |
|---|---|
| Molecular Weight | 317.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.98917 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 139-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)CBr |
| InChIKey | NBQCBERBYQMIFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Benzoyloxy-2-bromoacetophenone (CAS 139-27-5), with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol. IUPAC: [3-(2-bromoacetyl)phenyl] benzoate.
Chemical Property Profile of 3'-Benzoyloxy-2-bromoacetophenone
Property Insights of 3'-Benzoyloxy-2-bromoacetophenone
The XLogP value of 4.1 indicates that 3'-Benzoyloxy-2-bromoacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3'-Benzoyloxy-2-bromoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Benzoyloxy-2-bromoacetophenone 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 3'-Benzoyloxy-2-bromoacetophenone?
The CAS number of 3'-Benzoyloxy-2-bromoacetophenone is 139-27-5.
What is the molecular formula of 3'-Benzoyloxy-2-bromoacetophenone?
The molecular formula of 3'-Benzoyloxy-2-bromoacetophenone is C15H11BrO3.
What is the molecular weight of 3'-Benzoyloxy-2-bromoacetophenone?
The molecular weight of 3'-Benzoyloxy-2-bromoacetophenone is 317.99 g/mol.
Where can I buy 3'-Benzoyloxy-2-bromoacetophenone?
You can request a quote for 3'-Benzoyloxy-2-bromoacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Benzoyloxy-2-bromoacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Benzoyloxy-2-bromoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.