N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester
TL;DR: N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester (CAS 875159-81-2) is a chemical compound with molecular formula C12H11N3O4S and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
Also Known As: N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester, cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate, Cyanomethyl N-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-N-methylglycinate
| Molecular Formula | C12H11N3O4S |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 0.13408 |
| Topological Polar Surface Area | 99.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.04703 |
| Heavy Atoms | 20 |
| Complexity | 718.46313 |
Chemical Identifiers
| CAS Number | 875159-81-2 |
|---|---|
| SMILES | CN(CC(=O)OCC#N)C1=NS(=O)(=O)C2=CC=CC=C21 |
Product Overview
N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester (CAS 875159-81-2), with molecular formula C12H11N3O4S and molecular weight 293.05 g/mol. IUPAC: cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate.
Chemical Property Profile of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester
Property Insights of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester
The XLogP value of 0.13408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester. The TPSA of 99.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester. Following Lipinski's Rule of Five, N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester has 0 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 N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester?
The CAS number of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester is 875159-81-2.
What is the molecular formula of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester?
The molecular formula of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester is C12H11N3O4S.
What is the molecular weight of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester?
The molecular weight of N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester is 293.05 g/mol.
Where can I buy N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester?
You can request a quote for N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.