![2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one structure](/static/products/877/877963-94-5.png)
2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
TL;DR: 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one (CAS 877963-94-5) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
Also Known As: LOC14, LOC14?, LOC14; LOC 14, EX-A4950, 2-((4-(Cyclopropanecarbonyl)piperazin-1-yl)methyl)benzo[d]isothiazol-3(2H)-one
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 1.5747 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 754.08185 |
Chemical Identifiers
| CAS Number | 877963-94-5 |
|---|---|
| SMILES | C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3 |
Product Overview
2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one (CAS 877963-94-5), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
Property Insights of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
The XLogP value of 1.5747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 45.55 Ų, 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-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 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one?
The CAS number of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one is 877963-94-5.
What is the molecular formula of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one?
The molecular formula of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one is C16H19N3O2S.
What is the molecular weight of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one?
The molecular weight of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one is 317.12 g/mol.
Where can I buy 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one?
You can request a quote for 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.