![(2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone structure](/static/products/3125/312516-70-4.webp)
(2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone
TL;DR: (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone (CAS 312516-70-4) is a chemical compound with molecular formula C18H16BrN3O3S and molecular weight 433.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone
Also Known As: ChemDiv1_011793, BAS 03660063, A1971/0082864, (2-bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone, 3-[4-(2-bromobenzoyl)-1-piperazinyl]-1,2-benzisothiazole 1,1-dioxide
| Molecular Formula | C18H16BrN3O3S |
|---|---|
| Molecular Weight | 433.01 g/mol |
| LogP | 2.356 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 433.00958 |
| Heavy Atoms | 26 |
| Complexity | 1011.8463 |
Chemical Identifiers
| CAS Number | 312516-70-4 |
|---|---|
| SMILES | C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4=CC=CC=C4Br |
Product Overview
(2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone (CAS 312516-70-4), with molecular formula C18H16BrN3O3S and molecular weight 433.01 g/mol. IUPAC: (2-bromophenyl)-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone.
Chemical Property Profile of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone
Property Insights of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone
The XLogP value of 2.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone. Following Lipinski's Rule of Five, (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone 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-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone?
The CAS number of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone is 312516-70-4.
What is the molecular formula of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone?
The molecular formula of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone is C18H16BrN3O3S.
What is the molecular weight of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone?
The molecular weight of (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone is 433.01 g/mol.
Where can I buy (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone?
You can request a quote for (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromophenyl)[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.