Benzoyl bromide, 3-bromo-
TL;DR: Benzoyl bromide, 3-bromo- (CAS 618-44-0) is a chemical compound with molecular formula C7H4Br2O and molecular weight 261.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobenzoyl bromide
Also Known As: 3-bromobenzoyl bromide, Benzoyl bromide, 3-bromo-, 3-Bromobenzoicacidbromide, m-bromo-benzoyl bromide, M-BROMOBENZOYL BROMIDE
| Molecular Formula | C7H4Br2O |
|---|---|
| Molecular Weight | 261.86 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.86084 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 618-44-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)Br |
| InChIKey | PFABNMHNELCDLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoyl bromide, 3-bromo- (CAS 618-44-0), with molecular formula C7H4Br2O and molecular weight 261.86 g/mol. IUPAC: 3-bromobenzoyl bromide.
Chemical Property Profile of Benzoyl bromide, 3-bromo-
Property Insights of Benzoyl bromide, 3-bromo-
The XLogP value of 3.9 indicates that Benzoyl bromide, 3-bromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benzoyl bromide, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoyl bromide, 3-bromo- has 0 hydrogen bond donor(s) and 1 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 Benzoyl bromide, 3-bromo-?
The CAS number of Benzoyl bromide, 3-bromo- is 618-44-0.
What is the molecular formula of Benzoyl bromide, 3-bromo-?
The molecular formula of Benzoyl bromide, 3-bromo- is C7H4Br2O.
What is the molecular weight of Benzoyl bromide, 3-bromo-?
The molecular weight of Benzoyl bromide, 3-bromo- is 261.86 g/mol.
Where can I buy Benzoyl bromide, 3-bromo-?
You can request a quote for Benzoyl bromide, 3-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyl bromide, 3-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoyl bromide, 3-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.