1-Phenyl-3-(1-pyrrolidinyl)-1-propanone
TL;DR: 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone (CAS 94-39-3) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-pyrrolidin-1-ylpropan-1-one
Also Known As: 1-phenyl-3-(pyrrolidin-1-yl)propan-1-one, 3-(1-pyrrolidinyl)propiophenone, 1-phenyl-3-pyrrolidin-1-ylpropan-1-one, beta-(1-Pyrrolidinyl)propiophenone, 1-phenyl-3-(pyrrolidin-1-yl)propan-1-on
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 94-39-3 |
|---|---|
| SMILES | C1CCN(C1)CCC(=O)C2=CC=CC=C2 |
| InChIKey | WRSWNYCNECGVNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-(1-pyrrolidinyl)-1-propanone (CAS 94-39-3), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 1-phenyl-3-pyrrolidin-1-ylpropan-1-one.
Chemical Property Profile of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone
Property Insights of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone 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 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone?
The CAS number of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone is 94-39-3.
What is the molecular formula of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone?
The molecular formula of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone is C13H17NO.
What is the molecular weight of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone?
The molecular weight of 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone is 203.13 g/mol.
Where can I buy 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone?
You can request a quote for 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.