2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 124372-68-5) is a chemical compound with molecular formula C11H10BrNO3S and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-(4-bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one, 2-[(E)-4-bromo-2-butenyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione, 8-(4-bromobut-2-enyl)-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
| Molecular Formula | C11H10BrNO3S |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 1.7822 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.95648 |
| Heavy Atoms | 17 |
| Complexity | 580.1343 |
Chemical Identifiers
| CAS Number | 124372-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC=CCBr |
Product Overview
2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 124372-68-5), with molecular formula C11H10BrNO3S and molecular weight 314.96 g/mol. IUPAC: 2-(4-bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 1.7822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 54.45 Ų, 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 3 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-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one is 124372-68-5.
What is the molecular formula of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one is C11H10BrNO3S.
What is the molecular weight of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one is 314.96 g/mol.
Where can I buy 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-(4-Bromobut-2-enyl)-1,1-dioxo-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-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobut-2-enyl)-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.