2-bromo-1-(1H-pyrrol-2-yl)ethanone
TL;DR: 2-bromo-1-(1H-pyrrol-2-yl)ethanone (CAS 73742-16-2) 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.
2-bromo-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-bromo-1-(1H-pyrrol-2-yl)ethanone, null, 2-BROMO-1-(1H-PYRROL-2-YL)-ETHANONE, Ethanone,2-bromo-1- -, 2-(Bromoacetyl)-1H-pyrrole
| Molecular Formula | C6H6BrNO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.96329 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 73742-16-2 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)CBr |
| InChIKey | LNXJNRIRUXVBHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromo-1-(1H-pyrrol-2-yl)ethanone (CAS 73742-16-2), with molecular formula C6H6BrNO and molecular weight 186.96 g/mol. IUPAC: 2-bromo-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-bromo-1-(1H-pyrrol-2-yl)ethanone
Property Insights of 2-bromo-1-(1H-pyrrol-2-yl)ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-1-(1H-pyrrol-2-yl)ethanone. With a topological polar surface area (TPSA) of 32.9 Ų, 2-bromo-1-(1H-pyrrol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-1-(1H-pyrrol-2-yl)ethanone has 1 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-bromo-1-(1H-pyrrol-2-yl)ethanone?
The CAS number of 2-bromo-1-(1H-pyrrol-2-yl)ethanone is 73742-16-2.
What is the molecular formula of 2-bromo-1-(1H-pyrrol-2-yl)ethanone?
The molecular formula of 2-bromo-1-(1H-pyrrol-2-yl)ethanone is C6H6BrNO.
What is the molecular weight of 2-bromo-1-(1H-pyrrol-2-yl)ethanone?
The molecular weight of 2-bromo-1-(1H-pyrrol-2-yl)ethanone is 186.96 g/mol.
Where can I buy 2-bromo-1-(1H-pyrrol-2-yl)ethanone?
You can request a quote for 2-bromo-1-(1H-pyrrol-2-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-bromo-1-(1H-pyrrol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-1-(1H-pyrrol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.