2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
TL;DR: 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 124372-40-3) is a chemical compound with molecular formula C11H10Cl3NO3S and molecular weight 340.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-(2,3,4-trichlorobutyl)-1,2-benzothiazol-3-one
Also Known As: 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione, 1,1-dioxo-2-(2,3,4-trichlorobutyl)-1,2-benzothiazol-3-one, 2-(2,3,4-trichlorobutyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 2-(2,3,4-Trichlorobutyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 9,9-dioxo-8-(2,3,4-trichlorobutyl)-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
| Molecular Formula | C11H10Cl3NO3S |
|---|---|
| Molecular Weight | 340.94 g/mol |
| LogP | 2.2847 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.9447 |
| Heavy Atoms | 19 |
| Complexity | 604.9579 |
Chemical Identifiers
| CAS Number | 124372-40-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(C(CCl)Cl)Cl |
Product Overview
2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 124372-40-3), with molecular formula C11H10Cl3NO3S and molecular weight 340.94 g/mol. IUPAC: 1,1-dioxo-2-(2,3,4-trichlorobutyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
Property Insights of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
The XLogP value of 2.2847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione 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-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The CAS number of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 124372-40-3.
What is the molecular formula of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular formula of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione is C11H10Cl3NO3S.
What is the molecular weight of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular weight of 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 340.94 g/mol.
Where can I buy 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
You can request a quote for 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3,4-trichlorobutyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.