3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
TL;DR: 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide (CAS 89750-17-4) is a chemical compound with molecular formula C10H9Cl2NO3S and molecular weight 292.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
Also Known As: NCIOpen2_002561, 3-(1,3-dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide, 3-[(1,3-dichloropropan-2-yl)oxy]-1,2-benzothiazole 1,1-dioxide, 1,2-Benzisothiazole,3-[2-chloro-1-(chloromethyl)ethoxy]-, 1,1-dioxide, 3-[(1,3-Dichloropropan-2-yl)oxy]-1H-1lambda~6~,2-benzothiazole-1,1-dione
| Molecular Formula | C10H9Cl2NO3S |
|---|---|
| Molecular Weight | 292.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.96802 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 89750-17-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)OC(CCl)CCl |
| InChIKey | WGRNBUAUPLKUFS-UHFFFAOYSA-N |
Product Overview
3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide (CAS 89750-17-4), with molecular formula C10H9Cl2NO3S and molecular weight 292.97 g/mol. IUPAC: 3-(1,3-dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
Property Insights of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide. Following Lipinski's Rule of Five, 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide 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 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide?
The CAS number of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide is 89750-17-4.
What is the molecular formula of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide?
The molecular formula of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide is C10H9Cl2NO3S.
What is the molecular weight of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide?
The molecular weight of 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide is 292.97 g/mol.
Where can I buy 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide?
You can request a quote for 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.