1-(Phenylacetyl)pyrrole
TL;DR: 1-(Phenylacetyl)pyrrole (CAS 66543-07-5) 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.
2-phenyl-1-pyrrol-1-ylethanone
Also Known As: 1-(Phenylacetyl)pyrrole, 1-phenylacetyl-pyrrole, 1-(Phenylacetyl)-1H-pyrrole, 2-phenyl-1-pyrrol-1-ylethanone, 1-(Phenylacetyl)-1H-pyrrole #
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 66543-07-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)N2C=CC=C2 |
| InChIKey | UBGOAGAVJODFHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylacetyl)pyrrole (CAS 66543-07-5), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 2-phenyl-1-pyrrol-1-ylethanone.
Chemical Property Profile of 1-(Phenylacetyl)pyrrole
Property Insights of 1-(Phenylacetyl)pyrrole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylacetyl)pyrrole. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(Phenylacetyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylacetyl)pyrrole 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 1-(Phenylacetyl)pyrrole?
The CAS number of 1-(Phenylacetyl)pyrrole is 66543-07-5.
What is the molecular formula of 1-(Phenylacetyl)pyrrole?
The molecular formula of 1-(Phenylacetyl)pyrrole is C12H11NO.
What is the molecular weight of 1-(Phenylacetyl)pyrrole?
The molecular weight of 1-(Phenylacetyl)pyrrole is 185.08 g/mol.
Where can I buy 1-(Phenylacetyl)pyrrole?
You can request a quote for 1-(Phenylacetyl)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylacetyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylacetyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.