7-Bromo-3-piperazin-1-yl-1,2-benzothiazole
TL;DR: 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole (CAS 155167-98-9) is a chemical compound with molecular formula C11H12BrN3S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-3-piperazin-1-yl-1,2-benzothiazole
Also Known As: 1,2-Benzisothiazole, 7-bromo-3-(1-piperazinyl)-, 5-bromo-9-piperazin-1-yl-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraene
| Molecular Formula | C11H12BrN3S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 2.4684 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.99353 |
| Heavy Atoms | 16 |
| Complexity | 504.89902 |
Chemical Identifiers
| CAS Number | 155167-98-9 |
|---|---|
| SMILES | C1CN(CCN1)C2=NSC3=C2C=CC=C3Br |
Product Overview
7-Bromo-3-piperazin-1-yl-1,2-benzothiazole (CAS 155167-98-9), with molecular formula C11H12BrN3S and molecular weight 296.99 g/mol. IUPAC: 7-bromo-3-piperazin-1-yl-1,2-benzothiazole.
Chemical Property Profile of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole
Property Insights of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole
The XLogP value of 2.4684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole. With a topological polar surface area (TPSA) of 28.16 Ų, 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole has 1 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 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole?
The CAS number of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole is 155167-98-9.
What is the molecular formula of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole?
The molecular formula of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole is C11H12BrN3S.
What is the molecular weight of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole?
The molecular weight of 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole is 296.99 g/mol.
Where can I buy 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole?
You can request a quote for 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-3-piperazin-1-yl-1,2-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.