Bromomethyl 4-methoxyphenyl ketone
TL;DR: Bromomethyl 4-methoxyphenyl ketone (CAS 2632-13-5) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(4-methoxyphenyl)ethanone
Also Known As: 2-Bromo-4'-methoxyacetophenone, 2-Bromo-1-(4-methoxyphenyl)ethanone, PTP inhibitor 1, p-Methoxyphenacyl bromide, 4-Methoxyphenacyl bromide
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 227.97859 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)CBr |
| InChIKey | XQJAHBHCLXUGEP-UHFFFAOYSA-N |
Product Description
Applications: Bromomethyl 4-methoxyphenyl ketone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Bromomethyl 4-methoxyphenyl ketone is a heterocyclic building block identified by CAS number 2632-13-5 and the molecular formula C9H9BrO2 and a molecular weight of 227.98 g/mol. Synonyms include 2-Bromo-4'-methoxyacetophenone and 2-Bromo-1-(4-methoxyphenyl)ethanone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bromomethyl 4-methoxyphenyl ketone
Property Insights of Bromomethyl 4-methoxyphenyl ketone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromomethyl 4-methoxyphenyl ketone. With a topological polar surface area (TPSA) of 26.3 Ų, Bromomethyl 4-methoxyphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromomethyl 4-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
What is the CAS number of Bromomethyl 4-methoxyphenyl ketone?
The CAS number of Bromomethyl 4-methoxyphenyl ketone is 2632-13-5.
What is the molecular formula of Bromomethyl 4-methoxyphenyl ketone?
The molecular formula of Bromomethyl 4-methoxyphenyl ketone is C9H9BrO2.
What is the molecular weight of Bromomethyl 4-methoxyphenyl ketone?
The molecular weight of Bromomethyl 4-methoxyphenyl ketone is 227.97859 g/mol.
What are the applications of Bromomethyl 4-methoxyphenyl ketone?
Bromomethyl 4-methoxyphenyl ketone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Bromomethyl 4-methoxyphenyl ketone?
You can request a quote for Bromomethyl 4-methoxyphenyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromomethyl 4-methoxyphenyl ketone?
Yes, CoreyChem provides custom synthesis services for Bromomethyl 4-methoxyphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.