Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate
TL;DR: Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate (CAS 134949-41-0) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate
Also Known As: ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate, ethyl 2-acetamidobenzo[d]thiazole-6-carboxylate, ethyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate, BAS 03421147, Ethyl2-acetamidobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 134949-41-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C |
| InChIKey | QAJGZBLGLSUJGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate (CAS 134949-41-0), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate
Property Insights of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate 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 Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate?
The CAS number of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate is 134949-41-0.
What is the molecular formula of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate?
The molecular formula of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate is C12H12N2O3S.
What is the molecular weight of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate?
The molecular weight of Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate is 264.06 g/mol.
Where can I buy Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate?
You can request a quote for Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.