2,2-Dibromo-1-phenylethanone
TL;DR: 2,2-Dibromo-1-phenylethanone (CAS 13665-04-8) is a chemical compound with molecular formula C8H6Br2O and molecular weight 275.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-1-phenylethanone
Also Known As: 2,2-Dibromo-1-phenylethanone, DIBROMOACETOPHENONE, 2,2-dibromoacetophenone, bromophenacyl bromide, Phenacylidene bromide
| Molecular Formula | C8H6Br2O |
|---|---|
| Molecular Weight | 275.88 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.87854 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 13665-04-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(Br)Br |
| InChIKey | ZHAORBUAOPBIBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dibromo-1-phenylethanone (CAS 13665-04-8), with molecular formula C8H6Br2O and molecular weight 275.88 g/mol. IUPAC: 2,2-dibromo-1-phenylethanone.
Chemical Property Profile of 2,2-Dibromo-1-phenylethanone
Property Insights of 2,2-Dibromo-1-phenylethanone
The XLogP value of 3.4 indicates that 2,2-Dibromo-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Dibromo-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromo-1-phenylethanone 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 2,2-Dibromo-1-phenylethanone?
The CAS number of 2,2-Dibromo-1-phenylethanone is 13665-04-8.
What is the molecular formula of 2,2-Dibromo-1-phenylethanone?
The molecular formula of 2,2-Dibromo-1-phenylethanone is C8H6Br2O.
What is the molecular weight of 2,2-Dibromo-1-phenylethanone?
The molecular weight of 2,2-Dibromo-1-phenylethanone is 275.88 g/mol.
Where can I buy 2,2-Dibromo-1-phenylethanone?
You can request a quote for 2,2-Dibromo-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibromo-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.