1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
TL;DR: 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (CAS 72652-32-5) is a chemical compound with molecular formula C6H3BrCl3NO and molecular weight 288.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
Also Known As: 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone, cholinecitrate, 4-Bromo-2-(trichloroacetyl)-1H-pyrrole, 1-(4-Bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one, 4-bromo-2-trichloroacetylpyrrole
| Molecular Formula | C6H3BrCl3NO |
|---|---|
| Molecular Weight | 288.85 g/mol |
| LogP | 3.3301 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.84637 |
| Heavy Atoms | 12 |
| Complexity | 303.987 |
Chemical Identifiers
| CAS Number | 72652-32-5 |
|---|---|
| SMILES | C1=C(NC=C1Br)C(=O)C(Cl)(Cl)Cl |
Product Overview
1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (CAS 72652-32-5), with molecular formula C6H3BrCl3NO and molecular weight 288.85 g/mol. IUPAC: 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone.
Chemical Property Profile of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
Property Insights of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
The XLogP value of 3.3301 indicates that 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone 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 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
The CAS number of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is 72652-32-5.
What is the molecular formula of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
The molecular formula of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is C6H3BrCl3NO.
What is the molecular weight of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
The molecular weight of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is 288.85 g/mol.
Where can I buy 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
You can request a quote for 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.