3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester
TL;DR: 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester (CAS 35675-20-8) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methoxy-2H-1,3-benzothiazole-3-carboxylate
Also Known As: 2-Methoxy-3-benzothiazolinecarboxylic acid ethyl ester, Ethyl 2-methoxy-3-benzothiazolinecarboxylate, 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester, ethyl 2-methoxy-1,3-benzothiazole-3(2h)-carboxylate, 2-methoxy-3-benzo[d]thiazolinecarboxylic acid ethyl ester
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 35675-20-8 |
|---|---|
| SMILES | CCOC(=O)N1C(SC2=CC=CC=C21)OC |
| InChIKey | YGLSNMHTEFSREI-UHFFFAOYSA-N |
Product Overview
3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester (CAS 35675-20-8), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: ethyl 2-methoxy-2H-1,3-benzothiazole-3-carboxylate.
Chemical Property Profile of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester
Property Insights of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester. Following Lipinski's Rule of Five, 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester 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 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester?
The CAS number of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester is 35675-20-8.
What is the molecular formula of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester?
The molecular formula of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester is C11H13NO3S.
What is the molecular weight of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester?
The molecular weight of 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester is 239.06 g/mol.
Where can I buy 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester?
You can request a quote for 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazolinecarboxylic acid, 2-methoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.