1-Acetyl-2-bromopyrrole
TL;DR: 1-Acetyl-2-bromopyrrole (CAS 84455-06-1) is a chemical compound with molecular formula C6H6BrNO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromopyrrol-1-yl)ethanone
Also Known As: 1-Acetyl-2-bromopyrrole, 1-(2-bromopyrrol-1-yl)ethanone, N-ACETYL-2-BROMOPYRROLE, 1-Acetyl-2-bromo-1H-pyrrole, 1-(2-bromo-1H-pyrrol-1-yl)ethan-1-one
| Molecular Formula | C6H6BrNO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.96329 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 84455-06-1 |
|---|---|
| SMILES | CC(=O)N1C=CC=C1Br |
| InChIKey | AMWMDFUSSNRLPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-2-bromopyrrole (CAS 84455-06-1), with molecular formula C6H6BrNO and molecular weight 186.96 g/mol. IUPAC: 1-(2-bromopyrrol-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-2-bromopyrrole
Property Insights of 1-Acetyl-2-bromopyrrole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-2-bromopyrrole. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Acetyl-2-bromopyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-2-bromopyrrole 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 1-Acetyl-2-bromopyrrole?
The CAS number of 1-Acetyl-2-bromopyrrole is 84455-06-1.
What is the molecular formula of 1-Acetyl-2-bromopyrrole?
The molecular formula of 1-Acetyl-2-bromopyrrole is C6H6BrNO.
What is the molecular weight of 1-Acetyl-2-bromopyrrole?
The molecular weight of 1-Acetyl-2-bromopyrrole is 186.96 g/mol.
Where can I buy 1-Acetyl-2-bromopyrrole?
You can request a quote for 1-Acetyl-2-bromopyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2-bromopyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-bromopyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.