3-(1-Pyrrolidinyl)propiophenone hydrochloride
TL;DR: 3-(1-Pyrrolidinyl)propiophenone hydrochloride (CAS 833-86-3) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 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;hydrochloride
Also Known As: Benzhexol Impurity 10, Propiophenone, 3-(1-pyrrolidinyl)-, hydrochloride, Pyrrolidinopropiophenone hydrochloride, 1-Propanone, hydrochloride, Propiophenone, hydrochloride
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 833-86-3 |
|---|---|
| SMILES | C1CCN(C1)CCC(=O)C2=CC=CC=C2.Cl |
| InChIKey | AACQWMDCFMYTSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Pyrrolidinyl)propiophenone hydrochloride (CAS 833-86-3), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 1-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.
Chemical Property Profile of 3-(1-Pyrrolidinyl)propiophenone hydrochloride
Property Insights of 3-(1-Pyrrolidinyl)propiophenone hydrochloride
The XLogP value of 2.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Pyrrolidinyl)propiophenone hydrochloride. With a topological polar surface area (TPSA) of 20.3 Ų, 3-(1-Pyrrolidinyl)propiophenone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Pyrrolidinyl)propiophenone hydrochloride has 1 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 3-(1-Pyrrolidinyl)propiophenone hydrochloride?
The CAS number of 3-(1-Pyrrolidinyl)propiophenone hydrochloride is 833-86-3.
What is the molecular formula of 3-(1-Pyrrolidinyl)propiophenone hydrochloride?
The molecular formula of 3-(1-Pyrrolidinyl)propiophenone hydrochloride is C13H18ClNO.
What is the molecular weight of 3-(1-Pyrrolidinyl)propiophenone hydrochloride?
The molecular weight of 3-(1-Pyrrolidinyl)propiophenone hydrochloride is 239.11 g/mol.
Where can I buy 3-(1-Pyrrolidinyl)propiophenone hydrochloride?
You can request a quote for 3-(1-Pyrrolidinyl)propiophenone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Pyrrolidinyl)propiophenone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Pyrrolidinyl)propiophenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.