2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone
TL;DR: 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone (CAS 51490-01-8) is a chemical compound with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone
Also Known As: 2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone, triethylorthopropionate, 2-bromo-1-(3,4,5-trimethoxyphenyl)ethan-1-one, 2-BROMO-1- -ETHANONE, 3,4,5-trimethoxyphenacyl bromide
| Molecular Formula | C11H13BrO4 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.99973 |
| Heavy Atoms | 16 |
| Complexity | 364.5661 |
Chemical Identifiers
| CAS Number | 51490-01-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CBr |
Product Overview
2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone (CAS 51490-01-8), with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol. IUPAC: 2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone
Property Insights of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone. With a topological polar surface area (TPSA) of 44.76 Ų, 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 4 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-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone?
The CAS number of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone is 51490-01-8.
What is the molecular formula of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone?
The molecular formula of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone is C11H13BrO4.
What is the molecular weight of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone?
The molecular weight of 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone is 288.00 g/mol.
Where can I buy 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone?
You can request a quote for 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.