Bromomethyl 3-methoxyphenyl ketone
TL;DR: Bromomethyl 3-methoxyphenyl ketone (CAS 5000-65-7) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(3-methoxyphenyl)ethanone
Also Known As: 2-Bromo-1-(3-methoxyphenyl)ethanone, 2-Bromo-3'-methoxyacetophenone, 3'-Methoxyphenacyl bromide, m-Methoxyphenacyl bromide, Guanoclor
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5000-65-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)CBr |
| InChIKey | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromomethyl 3-methoxyphenyl ketone (CAS 5000-65-7), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 2-bromo-1-(3-methoxyphenyl)ethanone.
Chemical Property Profile of Bromomethyl 3-methoxyphenyl ketone
Property Insights of Bromomethyl 3-methoxyphenyl ketone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromomethyl 3-methoxyphenyl ketone. With a topological polar surface area (TPSA) of 26.3 Ų, Bromomethyl 3-methoxyphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromomethyl 3-methoxyphenyl ketone has 0 hydrogen bond donor(s) and 2 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 Bromomethyl 3-methoxyphenyl ketone?
The CAS number of Bromomethyl 3-methoxyphenyl ketone is 5000-65-7.
What is the molecular formula of Bromomethyl 3-methoxyphenyl ketone?
The molecular formula of Bromomethyl 3-methoxyphenyl ketone is C9H9BrO2.
What is the molecular weight of Bromomethyl 3-methoxyphenyl ketone?
The molecular weight of Bromomethyl 3-methoxyphenyl ketone is 227.98 g/mol.
Where can I buy Bromomethyl 3-methoxyphenyl ketone?
You can request a quote for Bromomethyl 3-methoxyphenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromomethyl 3-methoxyphenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Bromomethyl 3-methoxyphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.