2-Bromopropiophenone
TL;DR: 2-Bromopropiophenone (CAS 2114-00-3) is a chemical compound with molecular formula C9H9BrO and molecular weight 211.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-phenylpropan-1-one
Also Known As: 2-Bromopropiophenone, alpha-Bromopropiophenone, 1-Propanone, 2-bromo-1-phenyl-, 2-bromo-1-phenylpropan-1-one, 1-Benzoyl-1-bromoethane
| Molecular Formula | C9H9BrO |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.98367 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 2114-00-3 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)Br |
| InChIKey | WPDWOCRJBPXJFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromopropiophenone (CAS 2114-00-3), with molecular formula C9H9BrO and molecular weight 211.98 g/mol. IUPAC: 2-bromo-1-phenylpropan-1-one.
Chemical Property Profile of 2-Bromopropiophenone
Property Insights of 2-Bromopropiophenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromopropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromopropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromopropiophenone 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-Bromopropiophenone?
The CAS number of 2-Bromopropiophenone is 2114-00-3.
What is the molecular formula of 2-Bromopropiophenone?
The molecular formula of 2-Bromopropiophenone is C9H9BrO.
What is the molecular weight of 2-Bromopropiophenone?
The molecular weight of 2-Bromopropiophenone is 211.98 g/mol.
Where can I buy 2-Bromopropiophenone?
You can request a quote for 2-Bromopropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromopropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromopropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.