4-(Bromomethyl)benzil
TL;DR: 4-(Bromomethyl)benzil (CAS 18189-19-0) is a chemical compound with molecular formula C15H11BrO2 and molecular weight 301.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione
Also Known As: 4-(Bromomethyl)benzil, 4-BROMOMETHYLBENZIL, Benzil-based compound, 24, 1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione, (4-(Bromomethyl)phenyl)phenylethanedione
| Molecular Formula | C15H11BrO2 |
|---|---|
| Molecular Weight | 301.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.99423 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 18189-19-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)CBr |
| InChIKey | QELAVTMDKHSMOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Bromomethyl)benzil (CAS 18189-19-0), with molecular formula C15H11BrO2 and molecular weight 301.99 g/mol. IUPAC: 1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione.
Chemical Property Profile of 4-(Bromomethyl)benzil
Property Insights of 4-(Bromomethyl)benzil
The XLogP value of 3.9 indicates that 4-(Bromomethyl)benzil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4-(Bromomethyl)benzil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)benzil has 0 hydrogen bond donor(s) and 2 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-(Bromomethyl)benzil?
The CAS number of 4-(Bromomethyl)benzil is 18189-19-0.
What is the molecular formula of 4-(Bromomethyl)benzil?
The molecular formula of 4-(Bromomethyl)benzil is C15H11BrO2.
What is the molecular weight of 4-(Bromomethyl)benzil?
The molecular weight of 4-(Bromomethyl)benzil is 301.99 g/mol.
Where can I buy 4-(Bromomethyl)benzil?
You can request a quote for 4-(Bromomethyl)benzil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)benzil?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)benzil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.