3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone
TL;DR: 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone (CAS 873856-82-7) is a chemical compound with molecular formula C22H19N5OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
Also Known As: 3-benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone, (3-(benzo[d]thiazol-2-yl)pyrazin-2-yl)(4-phenylpiperazin-1-yl)methanone, [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl](4-phenylpiperazin-1-yl)methanone, [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.7157 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13104 |
| Heavy Atoms | 29 |
| Complexity | 1119.0662 |
Chemical Identifiers
| CAS Number | 873856-82-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4 |
Product Overview
3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone (CAS 873856-82-7), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone
Property Insights of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone
The XLogP value of 3.7157 indicates that 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone. Following Lipinski's Rule of Five, 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone has 0 hydrogen bond donor(s) and 6 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-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone?
The CAS number of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone is 873856-82-7.
What is the molecular formula of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone?
The molecular formula of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone is C22H19N5OS.
What is the molecular weight of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone?
The molecular weight of 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone is 401.13 g/mol.
Where can I buy 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone?
You can request a quote for 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-ylpyrazin-2-yl 4-phenylpiperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.