4-溴苯乙酮
TL;DR: 4-溴苯乙酮 (CAS 99-90-1) 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.
4-溴苯乙酮
1-(4-bromophenyl)ethanone
Also Known As: 4'-Bromoacetophenone, p-Bromoacetophenone, 1-(4-Bromophenyl)ethanone, 4-BROMOACETOPHENONE, 1-(4-bromophenyl)ethan-1-one
| Molecular Formula | C8H7BrO |
|---|---|
| Molecular Weight | 197.97 g/mol |
| LogP | 2.4 |
| 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 | 125.0 |
Chemical Identifiers
| CAS Number | 99-90-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)Br |
| InChIKey | WYECURVXVYPVAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴苯乙酮 (CAS 99-90-1), with molecular formula C8H7BrO and molecular weight 197.97 g/mol. IUPAC: 1-(4-bromophenyl)ethanone.
Chemical Property Profile of 4-溴苯乙酮
Property Insights of 4-溴苯乙酮
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 4-溴苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-溴苯乙酮?
The CAS number of 4-溴苯乙酮 is 99-90-1.
What is the molecular formula of 4-溴苯乙酮?
The molecular formula of 4-溴苯乙酮 is C8H7BrO.
What is the molecular weight of 4-溴苯乙酮?
The molecular weight of 4-溴苯乙酮 is 197.97 g/mol.
Where can I buy 4-溴苯乙酮?
You can request a quote for 4-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 4-溴苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 4-溴苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.