2'-溴苯乙酮
TL;DR: 2'-溴苯乙酮 (CAS 2142-69-0) 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.
2'-溴苯乙酮
1-(2-bromophenyl)ethanone
Also Known As: 2'-Bromoacetophenone, o-Bromoacetophenone, 1-(2-Bromophenyl)ethanone, 2-Bromoacetophenone, 1-Acetyl-2-bromobenzene
| Molecular Formula | C8H7BrO |
|---|---|
| Molecular Weight | 197.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.96803 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 2142-69-0 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1Br |
| InChIKey | PIMNFNXBTGPCIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-溴苯乙酮 (CAS 2142-69-0), with molecular formula C8H7BrO and molecular weight 197.97 g/mol. IUPAC: 1-(2-bromophenyl)ethanone.
Chemical Property Profile of 2'-溴苯乙酮
Property Insights of 2'-溴苯乙酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-溴苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 2'-溴苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-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 2'-溴苯乙酮?
The CAS number of 2'-溴苯乙酮 is 2142-69-0.
What is the molecular formula of 2'-溴苯乙酮?
The molecular formula of 2'-溴苯乙酮 is C8H7BrO.
What is the molecular weight of 2'-溴苯乙酮?
The molecular weight of 2'-溴苯乙酮 is 197.97 g/mol.
Where can I buy 2'-溴苯乙酮?
You can request a quote for 2'-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 2'-溴苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 2'-溴苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.