2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone (CAS 13734-66-2) is a chemical compound with molecular formula C12H14BrNO and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-1-pyrrolidin-1-ylethanone
Also Known As: 2-(4-bromophenyl)-1-(pyrrolidin-1-yl)ethanone, 2-(4-bromophenyl)-1-pyrrolidin-1-ylethanone, 2-(4-bromophenyl)-1-pyrrolidinylethan-1-one, 2-(4-BROMOPHENYL)-1-(PYRROLIDIN-1-YL)ETHAN-1-ONE, Cambridge id 6210455
| Molecular Formula | C12H14BrNO |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.02588 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 13734-66-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=CC=C(C=C2)Br |
| InChIKey | KWRCUQGMKQPZJZ-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone (CAS 13734-66-2), with molecular formula C12H14BrNO and molecular weight 267.03 g/mol. IUPAC: 2-(4-bromophenyl)-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone has 0 hydrogen bond donor(s) and 1 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-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone is 13734-66-2.
What is the molecular formula of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone is C12H14BrNO.
What is the molecular weight of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone is 267.03 g/mol.
Where can I buy 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-(4-Bromophenyl)-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-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.