Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-
TL;DR: Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- (CAS 104388-90-1) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
Also Known As: ((6-Methyl-2-benzothiazolyl)amino)oxoacetic acid, ACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-, 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid, [(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetic acid, RefChem:316067
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 104388-90-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)O |
| InChIKey | PMIFYOZRYILPEX-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- (CAS 104388-90-1), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid.
Chemical Property Profile of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-
Property Insights of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-. Following Lipinski's Rule of Five, Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- 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 Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-?
The CAS number of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- is 104388-90-1.
What is the molecular formula of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-?
The molecular formula of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- is C10H8N2O3S.
What is the molecular weight of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-?
The molecular weight of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- is 236.03 g/mol.
Where can I buy Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-?
You can request a quote for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.