![2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide structure](/static/products/5383/538340-91-9.webp)
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide (CAS 538340-91-9) 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-[(4-methylphenyl)methylamino]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide, N-(2,2,2-trichloro-1-{[(4-methylphenyl)methyl]amino}ethyl)-2-(1,1,3-trioxo(2-h ydrobenzo[d]isothiazol-2-yl))acetamide, N-[2,2,2-trichloro-1-[(4-methylphenyl)methylamino]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C19H18Cl3N3O4S |
|---|---|
| Molecular Weight | 489.01 g/mol |
| LogP | 2.74182 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.00836 |
| Heavy Atoms | 30 |
| Complexity | 1069.1774 |
Chemical Identifiers
| CAS Number | 538340-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(C(Cl)(Cl)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide (CAS 538340-91-9), with molecular formula C19H18Cl3N3O4S and molecular weight 489.01 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(4-methylphenyl)methylamino]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide
The XLogP value of 2.74182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide. Following Lipinski's Rule of Five, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}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 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide?
The CAS number of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide is 538340-91-9.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide?
The molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide is C19H18Cl3N3O4S.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide?
The molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide is 489.01 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide?
You can request a quote for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylbenzyl)amino]ethyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.