2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone (CAS 435286-46-7) is a chemical compound with molecular formula C14H18BrNO2 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
Also Known As: 2-(4-Bromo-3,5-dimethylphenoxy)-1-(1-pyrrolidinyl)ethanone, 2-(4-bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone, 2-(4-bromo-3,5-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
| Molecular Formula | C14H18BrNO2 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 3.06714 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0521 |
| Heavy Atoms | 18 |
| Complexity | 430.10236 |
Chemical Identifiers
| CAS Number | 435286-46-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Br)C)OCC(=O)N2CCCC2 |
Product Overview
2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone (CAS 435286-46-7), with molecular formula C14H18BrNO2 and molecular weight 311.05 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylphenoxy)-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 3.06714 indicates that 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone 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 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone is 435286-46-7.
What is the molecular formula of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone is C14H18BrNO2.
What is the molecular weight of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone is 311.05 g/mol.
Where can I buy 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-3,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.