1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride
TL;DR: 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride (CAS 190-66-9) is a chemical compound with molecular formula C13H19ClN2OS and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,2-benzothiazol-3-yloxy)ethyl]butan-1-amine;hydrochloride
Also Known As: 3-(2-(Butylamino)ethoxy)-1,2-benzisothiazole monohydrochloride, 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride, n-[2-(1,2-benzothiazol-3-yloxy)ethyl]butan-1-amine hydrochloride(1:1), N-[2-(1,2-benzothiazol-3-yloxy)ethyl]butan-1-amine hydrochloride, N-{2-[(1,2-Benzothiazol-3-yl)oxy]ethyl}butan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C13H19ClN2OS |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 3.4866 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.09067 |
| Heavy Atoms | 18 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 190-66-9 |
|---|---|
| SMILES | CCCCNCCOC1=NSC2=CC=CC=C21.Cl |
| InChIKey | BZFLNPMFRZUIDY-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride (CAS 190-66-9), with molecular formula C13H19ClN2OS and molecular weight 286.09 g/mol. IUPAC: N-[2-(1,2-benzothiazol-3-yloxy)ethyl]butan-1-amine;hydrochloride.
Chemical Property Profile of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride
Property Insights of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride
The XLogP value of 3.4866 indicates that 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride has 2 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 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride?
The CAS number of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride is 190-66-9.
What is the molecular formula of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride?
The molecular formula of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride is C13H19ClN2OS.
What is the molecular weight of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride?
The molecular weight of 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride is 286.09 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride?
You can request a quote for 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-(2-(butylamino)ethoxy)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.