Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-
TL;DR: Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- (CAS 90490-62-3) 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-phenyl-2-pyrrol-1-ylethanone
Also Known As: N-phenacylazole, 1-phenyl-2-pyrrol-1-ylethanone, 1-phenyl-2-pyrrol-1-yl-ethanone, Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-, alpha-(1H-Pyrrole-1-yl)acetophenone
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.371 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 403.1515 |
Chemical Identifiers
| CAS Number | 90490-62-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C=CC=C2 |
Product Overview
Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- (CAS 90490-62-3), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 1-phenyl-2-pyrrol-1-ylethanone.
Chemical Property Profile of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-
Property Insights of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-
The XLogP value of 2.371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-. With a topological polar surface area (TPSA) of 22.0 Ų, Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- 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 Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-?
The CAS number of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- is 90490-62-3.
What is the molecular formula of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-?
The molecular formula of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- is C12H11NO.
What is the molecular weight of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-?
The molecular weight of Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- is 185.08 g/mol.
Where can I buy Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-?
You can request a quote for Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-phenyl-2-(1H-pyrrol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.