![1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one structure](/static/products/681/681165-40-2.png)
1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one
TL;DR: 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one (CAS 681165-40-2) is a chemical compound with molecular formula C15H19N3OS and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
Also Known As: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one, 1-(4-(benzo[d]thiazol-2-yl)piperazin-1-yl)butan-1-one
| Molecular Formula | C15H19N3OS |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 2.745 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12488 |
| Heavy Atoms | 20 |
| Complexity | 568.9394 |
Chemical Identifiers
| CAS Number | 681165-40-2 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3S2 |
Product Overview
1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one (CAS 681165-40-2), with molecular formula C15H19N3OS and molecular weight 289.12 g/mol. IUPAC: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one
Property Insights of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one
The XLogP value of 2.745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one. With a topological polar surface area (TPSA) of 36.44 Ų, 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one has 0 hydrogen bond donor(s) and 4 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-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one?
The CAS number of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one is 681165-40-2.
What is the molecular formula of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one?
The molecular formula of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one is C15H19N3OS.
What is the molecular weight of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one?
The molecular weight of 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one is 289.12 g/mol.
Where can I buy 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one?
You can request a quote for 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.