![N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide structure](/static/products/4529/452948-31-1.webp)
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
TL;DR: N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 452948-31-1) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06740291, N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide, N-[2-(1-cyclohexen-1-yl)ethyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 1.8378 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 798.5635 |
Chemical Identifiers
| CAS Number | 452948-31-1 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 452948-31-1), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Property Insights of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
The XLogP value of 1.8378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has 1 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-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The CAS number of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 452948-31-1.
What is the molecular formula of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is C17H20N2O4S.
What is the molecular weight of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 348.11 g/mol.
Where can I buy N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.