N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride
TL;DR: N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride (CAS 35531-85-2) is a chemical compound with molecular formula C16H22ClN3OS and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexylamino)ethyl]-1,2-benzothiazole-3-carboxamide;hydrochloride
Also Known As: N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride, N-Cicloesil-N-(2-(1,2-benzitosiazol-3-ilcarbossiamido)etil)amina, N-Cicloesil-N-(2-(1,2-benzitosiazol-3-ilcarbossiamido)etil)amina [Italian], 1,2-Benzisothiazole-3-carboxamide, N-(2-(cyclohexylamino)ethyl)-, monohydrochloride, n-[2-(cyclohexylamino)ethyl]-1,2-benzothiazole-3-carboxamide hydrochloride(1:1)
| Molecular Formula | C16H22ClN3OS |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 3.3702 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.11722 |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 35531-85-2 |
|---|---|
| SMILES | C1CCC(CC1)NCCNC(=O)C2=NSC3=CC=CC=C32.Cl |
| InChIKey | MESSJADDSHXFBN-UHFFFAOYSA-N |
Product Overview
N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride (CAS 35531-85-2), with molecular formula C16H22ClN3OS and molecular weight 339.12 g/mol. IUPAC: N-[2-(cyclohexylamino)ethyl]-1,2-benzothiazole-3-carboxamide;hydrochloride.
Chemical Property Profile of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride
Property Insights of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride
The XLogP value of 3.3702 indicates that N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride. Following Lipinski's Rule of Five, N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride has 3 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 N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride?
The CAS number of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride is 35531-85-2.
What is the molecular formula of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride?
The molecular formula of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride is C16H22ClN3OS.
What is the molecular weight of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride?
The molecular weight of N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride is 339.12 g/mol.
Where can I buy N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride?
You can request a quote for N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.