![2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}acetamide structure](/static/products/4620/462069-85-8.webp)
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}acetamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}acetamide (CAS 462069-85-8) is a chemical compound with molecular formula C18H16Cl3N3O5S and molecular weight 490.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(2-methoxyanilino)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-[(2-methoxyphenyl)amino]ethyl}acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2,2,2-trichloro-1-((2-methoxyphenyl)amino)ethyl)acetamide, N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C18H16Cl3N3O5S |
|---|---|
| Molecular Weight | 490.99 g/mol |
| LogP | 2.7643 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.9876 |
| Heavy Atoms | 30 |
| Complexity | 1088.4697 |
Chemical Identifiers
| CAS Number | 462069-85-8 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(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-[(2-methoxyphenyl)amino]ethyl}acetamide (CAS 462069-85-8), with molecular formula C18H16Cl3N3O5S and molecular weight 490.99 g/mol. IUPAC: N-[2,2,2-trichloro-1-(2-methoxyanilino)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-[(2-methoxyphenyl)amino]ethyl}acetamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}acetamide
The XLogP value of 2.7643 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-[(2-methoxyphenyl)amino]ethyl}acetamide. The TPSA of 104.81 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-[(2-methoxyphenyl)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-[(2-methoxyphenyl)amino]ethyl}acetamide has 2 hydrogen bond donor(s) and 6 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-[(2-methoxyphenyl)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-[(2-methoxyphenyl)amino]ethyl}acetamide is 462069-85-8.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)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-[(2-methoxyphenyl)amino]ethyl}acetamide is C18H16Cl3N3O5S.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)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-[(2-methoxyphenyl)amino]ethyl}acetamide is 490.99 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)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-[(2-methoxyphenyl)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-[(2-methoxyphenyl)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-[(2-methoxyphenyl)amino]ethyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.