Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester
TL;DR: Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester (CAS 104388-85-4) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Also Known As: Benzothiazolyl-2-oxaminic acid, 6-methyl-, methyl ester, ACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTER, ((6-Methyl-2-benzothiazolyl)amino)oxoacetic acid methyl ester, methyl [(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetate, methyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 104388-85-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)OC |
| InChIKey | AYLUXTHINBJKHL-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester (CAS 104388-85-4), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: methyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate.
Chemical Property Profile of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester
Property Insights of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester has 1 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-, methyl ester?
The CAS number of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester is 104388-85-4.
What is the molecular formula of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular formula of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester is C11H10N2O3S.
What is the molecular weight of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular weight of Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester is 250.04 g/mol.
Where can I buy Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester?
You can request a quote for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester 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-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.