2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 73651-46-4) is a chemical compound with molecular formula C14H21N2O3S+ and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]azanium
Also Known As: NCIStruc1_001072, NCIStruc2_001019, NCI60_004036, diethyl-methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]azanium, 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C14H21N2O3S+ |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1273 |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 73651-46-4 |
|---|---|
| SMILES | CC[N+](C)(CC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | RSEZBWBZGLQJNM-UHFFFAOYSA-N |
Product Overview
2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 73651-46-4), with molecular formula C14H21N2O3S+ and molecular weight 297.13 g/mol. IUPAC: diethyl-methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]azanium.
Chemical Property Profile of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide 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-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 73651-46-4.
What is the molecular formula of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is C14H21N2O3S+.
What is the molecular weight of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 297.13 g/mol.
Where can I buy 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-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-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(diethyl(methyl)-5-azanyl)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.