1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
TL;DR: 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (CAS 72652-34-7) is a chemical compound with molecular formula C8H6Cl3NO2 and molecular weight 252.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
Also Known As: 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone, MANGANOUSSULFATE, 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone, acetylpyrrolyltrichloroethanone, 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one
| Molecular Formula | C8H6Cl3NO2 |
|---|---|
| Molecular Weight | 252.95 g/mol |
| LogP | 2.7702 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.94641 |
| Heavy Atoms | 14 |
| Complexity | 378.18326 |
Chemical Identifiers
| CAS Number | 72652-34-7 |
|---|---|
| SMILES | CC(=O)C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
Product Overview
1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (CAS 72652-34-7), with molecular formula C8H6Cl3NO2 and molecular weight 252.95 g/mol. IUPAC: 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone.
Chemical Property Profile of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
Property Insights of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
The XLogP value of 2.7702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone. With a topological polar surface area (TPSA) of 49.93 Ų, 1-(4-acetyl-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-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone has 1 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 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
The CAS number of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is 72652-34-7.
What is the molecular formula of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
The molecular formula of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is C8H6Cl3NO2.
What is the molecular weight of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
The molecular weight of 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone is 252.95 g/mol.
Where can I buy 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
You can request a quote for 1-(4-acetyl-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-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.