2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid
TL;DR: 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid (CAS 854357-50-9) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid
Also Known As: [(1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)amino]acetic acid|2-[(1,1-dioxo-1,2-benzothiazol-3-yl)(methyl)amino]acetic acid|2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid|2-[(1,1-dioxo-1,2-benzothiazol-3-yl)(methyl)amino]aceticacid|2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid|2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)(methyl)amino]acetic acid|[(1,1-DIOXO-1??,2-BENZOTHIAZOL-3-YL)(METHYL)AMINO]ACETIC ACID|2-[(1,1-dioxo-1$l^{6},2-benzothiazol-3-yl)(methyl)amino]acetic acid|2-[(1,1-dioxo-1lambda6,2-benzothiazol-3-yl)(methyl)amino]acetic acid|2-[(7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraen-9-yl)-methyl-amino]acetic Acid|874-099-1|RefChem:447275|EN300-13535
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.1519 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 606.4868 |
Chemical Identifiers
| CAS Number | 854357-50-9 |
|---|---|
| SMILES | CN(CC(=O)O)C1=NS(=O)(=O)C2=CC=CC=C21 |
Product Overview
2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid (CAS 854357-50-9), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid.
Chemical Property Profile of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid
Property Insights of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid
The XLogP value of 0.1519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid. Following Lipinski's Rule of Five, 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid has 1 hydrogen bond donor(s) and 4 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-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid?
The CAS number of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid is 854357-50-9.
What is the molecular formula of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid?
The molecular formula of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid is C10H10N2O4S.
What is the molecular weight of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid?
The molecular weight of 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid is 254.04 g/mol.
Where can I buy 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid?
You can request a quote for 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid 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-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.