Methyl (1,3-benzothiazol-2-yl)acetate
TL;DR: Methyl (1,3-benzothiazol-2-yl)acetate (CAS 62886-13-9) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzothiazol-2-yl)acetate
Also Known As: METHYL 2-(BENZO[D]THIAZOL-2-YL)ACETATE, methyl 2-(1,3-benzothiazol-2-yl)acetate, 2-Benzothiazoleaceticacid,methylester(9CI), 2-Benzothiazoleaceticacid,methylester, Methyl (1,3-benzothiazol-2-yl)acetate
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 62886-13-9 |
|---|---|
| SMILES | COC(=O)CC1=NC2=CC=CC=C2S1 |
| InChIKey | AIOVHQHTHZJMPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (1,3-benzothiazol-2-yl)acetate (CAS 62886-13-9), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-yl)acetate.
Chemical Property Profile of Methyl (1,3-benzothiazol-2-yl)acetate
Property Insights of Methyl (1,3-benzothiazol-2-yl)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1,3-benzothiazol-2-yl)acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (1,3-benzothiazol-2-yl)acetate. Following Lipinski's Rule of Five, Methyl (1,3-benzothiazol-2-yl)acetate has 0 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 Methyl (1,3-benzothiazol-2-yl)acetate?
The CAS number of Methyl (1,3-benzothiazol-2-yl)acetate is 62886-13-9.
What is the molecular formula of Methyl (1,3-benzothiazol-2-yl)acetate?
The molecular formula of Methyl (1,3-benzothiazol-2-yl)acetate is C10H9NO2S.
What is the molecular weight of Methyl (1,3-benzothiazol-2-yl)acetate?
The molecular weight of Methyl (1,3-benzothiazol-2-yl)acetate is 207.04 g/mol.
Where can I buy Methyl (1,3-benzothiazol-2-yl)acetate?
You can request a quote for Methyl (1,3-benzothiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1,3-benzothiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1,3-benzothiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.