2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone
TL;DR: 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone (CAS 21898-65-7) is a chemical compound with molecular formula C7H6Cl3NO and molecular weight 224.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethanone
Also Known As: 2-Trichloroacetyl-1-methylpyrrole, Not Available, zlchem 709, 1-Methyl-2-(trichloroacetyl)-1H-pyrrole, 1-Methyl-2-trichloroacetylpyrrole
| Molecular Formula | C7H6Cl3NO |
|---|---|
| Molecular Weight | 224.95 g/mol |
| LogP | 2.578 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.95149 |
| Heavy Atoms | 12 |
| Complexity | 299.84528 |
Chemical Identifiers
| CAS Number | 21898-65-7 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)C(Cl)(Cl)Cl |
Product Overview
2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone (CAS 21898-65-7), with molecular formula C7H6Cl3NO and molecular weight 224.95 g/mol. IUPAC: 2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethanone.
Chemical Property Profile of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone
Property Insights of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone
The XLogP value of 2.578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone. With a topological polar surface area (TPSA) of 22.0 Ų, 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-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 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone?
The CAS number of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone is 21898-65-7.
What is the molecular formula of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone?
The molecular formula of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone is C7H6Cl3NO.
What is the molecular weight of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone?
The molecular weight of 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone is 224.95 g/mol.
Where can I buy 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone?
You can request a quote for 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(1-methyl-1H-pyrrol-2-yl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.