2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone (CAS 435281-69-9) is a chemical compound with molecular formula C13H16BrNO2 and molecular weight 297.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-methylphenoxy)-1-pyrrolidin-1-ylethanone
Also Known As: diethyl 2-(ethoxymethylene)succinate, 2-(4-bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone, 2-(4-Bromo-2-methylphenoxy)-1-(1-pyrrolidinyl)ethanone, A1-36316, 2-(4-bromo-2-methylphenoxy)-1-pyrrolidin-1-ylethanone
| Molecular Formula | C13H16BrNO2 |
|---|---|
| Molecular Weight | 297.04 g/mol |
| LogP | 2.75872 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.03644 |
| Heavy Atoms | 17 |
| Complexity | 413.88052 |
Chemical Identifiers
| CAS Number | 435281-69-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)OCC(=O)N2CCCC2 |
Product Overview
2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone (CAS 435281-69-9), with molecular formula C13H16BrNO2 and molecular weight 297.04 g/mol. IUPAC: 2-(4-bromo-2-methylphenoxy)-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 2.75872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone. With a topological polar surface area (TPSA) of 29.54 Ų, 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-2-methylphenoxy)-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-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone is 435281-69-9.
What is the molecular formula of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone is C13H16BrNO2.
What is the molecular weight of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone is 297.04 g/mol.
Where can I buy 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-(4-Bromo-2-methylphenoxy)-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-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-2-methylphenoxy)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.