1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one
TL;DR: 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one (CAS 40167-28-0) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenyl-1H-pyrrol-3-yl)ethanone
Also Known As: 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one, 1-(4-phenyl-1H-pyrrol-3-yl)ethanone, 3-Acetyl-4-phenylpyrrole, 4-Phenyl-3-acetyl-1H-pyrrole, AM-814/41094089
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.8843 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 442.3551 |
Chemical Identifiers
| CAS Number | 40167-28-0 |
|---|---|
| SMILES | CC(=O)C1=CNC=C1C2=CC=CC=C2 |
Product Overview
1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one (CAS 40167-28-0), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 1-(4-phenyl-1H-pyrrol-3-yl)ethanone.
Chemical Property Profile of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one
Property Insights of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one
The XLogP value of 2.8843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one 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-phenyl-1H-pyrrol-3-yl)ethan-1-one?
The CAS number of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one is 40167-28-0.
What is the molecular formula of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular formula of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one is C12H11NO.
What is the molecular weight of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular weight of 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one is 185.08 g/mol.
Where can I buy 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one?
You can request a quote for 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-phenyl-1H-pyrrol-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.