![N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide structure](/static/products/5261/526186-94-7.webp)
N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
TL;DR: N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide (CAS 526186-94-7) is a chemical compound with molecular formula C19H18Cl3N3O4S and molecular weight 489.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}acetamide, N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-{1-[(3,4-dimethylphenyl)amino]-2,2,2-trichloroethyl}-2-(1,1,3-trioxo(2-hydro benzo[d]isothiazol-2-yl))acetamide
| Molecular Formula | C19H18Cl3N3O4S |
|---|---|
| Molecular Weight | 489.01 g/mol |
| LogP | 3.37254 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.00836 |
| Heavy Atoms | 30 |
| Complexity | 1116.2479 |
Chemical Identifiers
| CAS Number | 526186-94-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C |
Product Overview
N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide (CAS 526186-94-7), with molecular formula C19H18Cl3N3O4S and molecular weight 489.01 g/mol. IUPAC: N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
Property Insights of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
The XLogP value of 3.37254 indicates that N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide has 2 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 N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
The CAS number of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is 526186-94-7.
What is the molecular formula of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is C19H18Cl3N3O4S.
What is the molecular weight of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is 489.01 g/mol.
Where can I buy N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-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-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2,2,2-trichloro-1-[(3,4-dimethylphenyl)amino]ethyl}-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.