1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-
TL;DR: 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- (CAS 115091-01-5) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-piperazin-1-ylpropan-1-one
Also Known As: 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-, 4'-Chloro-3-(piperazin-1-yl)propiophenone, 1-(4-chlorophenyl)-3-piperazin-1-ylpropan-1-one, 1-(4-CHLOROPHENYL)-3-(PIPERAZIN-1-YL)PROPAN-1-ONE, (3S,8R,9S,10R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13,14-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 115091-01-5 |
|---|---|
| SMILES | C1CN(CCN1)CCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | KMWWJKAQUKOBAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- (CAS 115091-01-5), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: 1-(4-chlorophenyl)-3-piperazin-1-ylpropan-1-one.
Chemical Property Profile of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-
Property Insights of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- has 1 hydrogen bond donor(s) and 3 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-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-?
The CAS number of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- is 115091-01-5.
What is the molecular formula of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-?
The molecular formula of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- is C13H17ClN2O.
What is the molecular weight of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-?
The molecular weight of 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- is 252.10 g/mol.
Where can I buy 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-?
You can request a quote for 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.