2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether
TL;DR: 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether (CAS 109538-82-1) is a chemical compound with molecular formula C9H8ClNO3S and molecular weight 244.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethoxy)-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-(2-chloroethoxy)-1,2-benzothiazole 1,1-dioxide, 2-chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether, AP-520/40788855, 3-(2-chloroethoxy)benzo[d]1,2-thiazoline-1,1-dione
| Molecular Formula | C9H8ClNO3S |
|---|---|
| Molecular Weight | 244.99 g/mol |
| LogP | 1.3909 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.99135 |
| Heavy Atoms | 15 |
| Complexity | 509.84366 |
Chemical Identifiers
| CAS Number | 109538-82-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)OCCCl |
Product Overview
2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether (CAS 109538-82-1), with molecular formula C9H8ClNO3S and molecular weight 244.99 g/mol. IUPAC: 3-(2-chloroethoxy)-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether
Property Insights of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether
The XLogP value of 1.3909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether. With a topological polar surface area (TPSA) of 55.73 Ų, 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether 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-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether?
The CAS number of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether is 109538-82-1.
What is the molecular formula of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether?
The molecular formula of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether is C9H8ClNO3S.
What is the molecular weight of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether?
The molecular weight of 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether is 244.99 g/mol.
Where can I buy 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether?
You can request a quote for 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 1,1-dioxido-1,2-benzisothiazol-3-yl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.