4-Benzylpiperazinyl 2-thienyl ketone
TL;DR: 4-Benzylpiperazinyl 2-thienyl ketone (CAS 314263-58-6) is a chemical compound with molecular formula C16H18N2OS and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone
Also Known As: 4-BENZYLPIPERAZINYL 2-THIENYL KETONE, 1-benzyl-4-(thiophene-2-carbonyl)piperazine, (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone, (4-benzylpiperazin-1-yl)(thiophen-2-yl)methanone, 1-(2-Thienylcarbonyl)-4-benzylpiperazine
| Molecular Formula | C16H18N2OS |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.11398 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 314263-58-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CS3 |
| InChIKey | LWRIUWKPFSDWBI-UHFFFAOYSA-N |
Product Overview
4-Benzylpiperazinyl 2-thienyl ketone (CAS 314263-58-6), with molecular formula C16H18N2OS and molecular weight 286.11 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanone.
Chemical Property Profile of 4-Benzylpiperazinyl 2-thienyl ketone
Property Insights of 4-Benzylpiperazinyl 2-thienyl ketone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylpiperazinyl 2-thienyl ketone. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Benzylpiperazinyl 2-thienyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylpiperazinyl 2-thienyl ketone has 0 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 4-Benzylpiperazinyl 2-thienyl ketone?
The CAS number of 4-Benzylpiperazinyl 2-thienyl ketone is 314263-58-6.
What is the molecular formula of 4-Benzylpiperazinyl 2-thienyl ketone?
The molecular formula of 4-Benzylpiperazinyl 2-thienyl ketone is C16H18N2OS.
What is the molecular weight of 4-Benzylpiperazinyl 2-thienyl ketone?
The molecular weight of 4-Benzylpiperazinyl 2-thienyl ketone is 286.11 g/mol.
Where can I buy 4-Benzylpiperazinyl 2-thienyl ketone?
You can request a quote for 4-Benzylpiperazinyl 2-thienyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylpiperazinyl 2-thienyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylpiperazinyl 2-thienyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.