4-Chlorophenyl 2-pyrrolyl ketone
TL;DR: 4-Chlorophenyl 2-pyrrolyl ketone (CAS 13169-71-6) is a chemical compound with molecular formula C11H8ClNO and molecular weight 205.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone
Also Known As: (4-chlorophenyl)(1H-pyrrol-2-yl)methanone, 2-p-chlorobenzoylpyrrole, methanone, (4-chlorophenyl)-1H-pyrrol-2-yl-, 2-(4-Chlorobenzoyl)-1H-pyrrole, (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8ClNO |
| Molecular Weight | 205.02943 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.02943 Da |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
| SMILES | C1=CNC(=C1)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | YTVORWPYOKKVAM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlorophenyl 2-pyrrolyl ketone
Property Insights of 4-Chlorophenyl 2-pyrrolyl ketone
The XLogP value of 3.0 indicates that 4-Chlorophenyl 2-pyrrolyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, 4-Chlorophenyl 2-pyrrolyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 2-pyrrolyl ketone 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
What is the CAS number of 4-Chlorophenyl 2-pyrrolyl ketone?
The CAS number of 4-Chlorophenyl 2-pyrrolyl ketone is 13169-71-6.
What is the molecular formula of 4-Chlorophenyl 2-pyrrolyl ketone?
The molecular formula of 4-Chlorophenyl 2-pyrrolyl ketone is C11H8ClNO.
What is the molecular weight of 4-Chlorophenyl 2-pyrrolyl ketone?
The molecular weight of 4-Chlorophenyl 2-pyrrolyl ketone is 205.02943 g/mol.
Where can I buy 4-Chlorophenyl 2-pyrrolyl ketone?
You can request a quote for 4-Chlorophenyl 2-pyrrolyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorophenyl 2-pyrrolyl ketone?
Yes, CoreyChem provides custom synthesis services for 4-Chlorophenyl 2-pyrrolyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.