2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone
TL;DR: 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone (CAS 32176-91-3) is a chemical compound with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone
Also Known As: NCI60_004857, 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone, Ethanone, 2-bromo-1-(2,5-dimethoxy-4-methylphenyl)-, 2-bromo-1-(2,5-dimethoxy-4-methyl-phenyl)ethanone, 2-bromo-1-(2,5-dimethoxy-4-methylphenyl)ethan-1-one
| Molecular Formula | C11H13BrO3 |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.00482 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 32176-91-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C(=O)CBr)OC |
| InChIKey | WEEDBQSHFOQUJF-UHFFFAOYSA-N |
Product Overview
2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone (CAS 32176-91-3), with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol. IUPAC: 2-bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone
Property Insights of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone has 0 hydrogen bond donor(s) and 3 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-(2,5-dimethoxy-4-methylphenyl)ethanone?
The CAS number of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone is 32176-91-3.
What is the molecular formula of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone?
The molecular formula of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone is C11H13BrO3.
What is the molecular weight of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone?
The molecular weight of 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone is 272.00 g/mol.
Where can I buy 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone?
You can request a quote for 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)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-(2,5-dimethoxy-4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.