2-(Trichloroacetyl)pyrrole
TL;DR: 2-(Trichloroacetyl)pyrrole (CAS 35302-72-8) is a chemical compound with molecular formula C6H4Cl3NO and molecular weight 210.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-(Trichloroacetyl)pyrrole, 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone, 2-Trichloroacetylpyrrole, trichloroacetyl pyrrole, 2-trichloracetyl pyrrole
| Molecular Formula | C6H4Cl3NO |
|---|---|
| Molecular Weight | 210.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.93585 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 35302-72-8 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
| InChIKey | BBFDGMDENAEMKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trichloroacetyl)pyrrole (CAS 35302-72-8), with molecular formula C6H4Cl3NO and molecular weight 210.94 g/mol. IUPAC: 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-(Trichloroacetyl)pyrrole
Property Insights of 2-(Trichloroacetyl)pyrrole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trichloroacetyl)pyrrole. With a topological polar surface area (TPSA) of 32.9 Ų, 2-(Trichloroacetyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloroacetyl)pyrrole 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-(Trichloroacetyl)pyrrole?
The CAS number of 2-(Trichloroacetyl)pyrrole is 35302-72-8.
What is the molecular formula of 2-(Trichloroacetyl)pyrrole?
The molecular formula of 2-(Trichloroacetyl)pyrrole is C6H4Cl3NO.
What is the molecular weight of 2-(Trichloroacetyl)pyrrole?
The molecular weight of 2-(Trichloroacetyl)pyrrole is 210.94 g/mol.
Where can I buy 2-(Trichloroacetyl)pyrrole?
You can request a quote for 2-(Trichloroacetyl)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trichloroacetyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloroacetyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.