Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate
TL;DR: Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate (CAS 3921-05-9) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-1,3-benzothiazol-5-yl)acetate
Also Known As: ethyl 2-(2-methyl-1,3-benzothiazol-5-yl)acetate, ethyl 2-(2-methylbenzo[d]thiazol-5-yl)acetate, ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.71032 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 518.71313 |
Chemical Identifiers
| CAS Number | 3921-05-9 |
|---|---|
| SMILES | CCOC(=O)CC1=CC2=C(C=C1)SC(=N2)C |
Product Overview
Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate (CAS 3921-05-9), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: ethyl 2-(2-methyl-1,3-benzothiazol-5-yl)acetate.
Chemical Property Profile of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate
Property Insights of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate
The XLogP value of 2.71032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-methyl-1,3-benzothiazol-5-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 Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate?
The CAS number of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate is 3921-05-9.
What is the molecular formula of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate?
The molecular formula of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate is C12H13NO2S.
What is the molecular weight of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate?
The molecular weight of Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate is 235.07 g/mol.
Where can I buy Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate?
You can request a quote for Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-methyl-1,3-benzothiazol-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.