N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
TL;DR: N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide (CAS 729565-54-2) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide, N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-methylacetamide, N-(2-cyanoethyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 0.20318 |
| Topological Polar Surface Area | 98.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 736.02844 |
Chemical Identifiers
| CAS Number | 729565-54-2 |
|---|---|
| SMILES | CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide (CAS 729565-54-2), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: N-(2-cyanoethyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
Property Insights of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
The XLogP value of 0.20318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide. The TPSA of 98.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide has 0 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-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
The CAS number of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is 729565-54-2.
What is the molecular formula of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
The molecular formula of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is C13H13N3O4S.
What is the molecular weight of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
The molecular weight of N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is 307.06 g/mol.
Where can I buy N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
You can request a quote for N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.