Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester
TL;DR: Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester (CAS 104388-84-3) 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.
methyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate
Also Known As: Benzothiazolyl-2-oxaminic acid, methyl ester, (2-Benzothiazolylamino)oxoacetic acid methyl ester, ACETIC ACID, (2-BENZOTHIAZOLYLAMINO)OXO-, METHYL ESTER, J3.576.432A, methyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 104388-84-3 |
|---|---|
| SMILES | COC(=O)C(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | FWIIRZSCJJVCDU-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester (CAS 104388-84-3), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate.
Chemical Property Profile of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester
Property Insights of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, (2-benzothiazolylamino)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, (2-benzothiazolylamino)oxo-, methyl ester?
The CAS number of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester is 104388-84-3.
What is the molecular formula of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester?
The molecular formula of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester is C10H8N2O3S.
What is the molecular weight of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester?
The molecular weight of Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester is 236.03 g/mol.
Where can I buy Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester?
You can request a quote for Acetic acid, (2-benzothiazolylamino)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, (2-benzothiazolylamino)oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.