Α-溴苯乙酮
TL;DR: Α-溴苯乙酮 (CAS 70-11-1) is a chemical compound with molecular formula C8H7BrO and molecular weight 197.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-溴苯乙酮
2-bromo-1-phenylethanone
Also Known As: 2-Bromoacetophenone, Phenacyl bromide, 2-Bromo-1-phenylethanone, Bromoacetophenone, phenacylbromide
| Molecular Formula | C8H7BrO |
|---|---|
| Molecular Weight | 197.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.96803 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 70-11-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CBr |
| InChIKey | LIGACIXOYTUXAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-溴苯乙酮 (CAS 70-11-1), with molecular formula C8H7BrO and molecular weight 197.97 g/mol. IUPAC: 2-bromo-1-phenylethanone.
Chemical Property Profile of Α-溴苯乙酮
Property Insights of Α-溴苯乙酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-溴苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, Α-溴苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-溴苯乙酮 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 Α-溴苯乙酮?
The CAS number of Α-溴苯乙酮 is 70-11-1.
What is the molecular formula of Α-溴苯乙酮?
The molecular formula of Α-溴苯乙酮 is C8H7BrO.
What is the molecular weight of Α-溴苯乙酮?
The molecular weight of Α-溴苯乙酮 is 197.97 g/mol.
Where can I buy Α-溴苯乙酮?
You can request a quote for Α-溴苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-溴苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for Α-溴苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.