4'-(1-Pyrrolidinyl)acetophenone
TL;DR: 4'-(1-Pyrrolidinyl)acetophenone (CAS 22222-86-2) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-pyrrolidin-1-ylphenyl)ethanone
Also Known As: 4'-(1-Pyrrolidino)acetophenone, 1-(4-pyrrolidin-1-ylphenyl)ethanone, 1-(4-(pyrrolidin-1-yl)phenyl)ethanone, 4-(1-PYRROLIDINO)ACETOPHENONE, 1-(4-Pyrrolidin-1-yl-phenyl)-ethanone
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 22222-86-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCCC2 |
| InChIKey | WNRFELFKDNNURJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-(1-Pyrrolidinyl)acetophenone (CAS 22222-86-2), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 1-(4-pyrrolidin-1-ylphenyl)ethanone.
Chemical Property Profile of 4'-(1-Pyrrolidinyl)acetophenone
Property Insights of 4'-(1-Pyrrolidinyl)acetophenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-(1-Pyrrolidinyl)acetophenone. With a topological polar surface area (TPSA) of 20.3 Ų, 4'-(1-Pyrrolidinyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(1-Pyrrolidinyl)acetophenone has 0 hydrogen bond donor(s) and 2 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 4'-(1-Pyrrolidinyl)acetophenone?
The CAS number of 4'-(1-Pyrrolidinyl)acetophenone is 22222-86-2.
What is the molecular formula of 4'-(1-Pyrrolidinyl)acetophenone?
The molecular formula of 4'-(1-Pyrrolidinyl)acetophenone is C12H15NO.
What is the molecular weight of 4'-(1-Pyrrolidinyl)acetophenone?
The molecular weight of 4'-(1-Pyrrolidinyl)acetophenone is 189.12 g/mol.
Where can I buy 4'-(1-Pyrrolidinyl)acetophenone?
You can request a quote for 4'-(1-Pyrrolidinyl)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(1-Pyrrolidinyl)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-(1-Pyrrolidinyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.