![2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide structure](/static/products/197/197161-07-2.png)
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 197161-07-2) is a chemical compound with molecular formula C16H14ClNO5S and molecular weight 367.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: ChemDiv1_008270, DivK1c_002910, CDS1_001870, 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-(3-(4-chlorophenoxy)-2-hydroxypropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C16H14ClNO5S |
|---|---|
| Molecular Weight | 367.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.0281 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 197161-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)Cl)O |
| InChIKey | AEKIKJDEYWLQEM-UHFFFAOYSA-N |
Product Overview
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 197161-07-2), with molecular formula C16H14ClNO5S and molecular weight 367.03 g/mol. IUPAC: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide has 1 hydrogen bond donor(s) and 5 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-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 197161-07-2.
What is the molecular formula of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is C16H14ClNO5S.
What is the molecular weight of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 367.03 g/mol.
Where can I buy 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 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 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.