Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate
TL;DR: Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate (CAS 77528-64-4) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylate
Also Known As: EINECS 278-710-7, Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate, ethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylate, 2-Methyl-5-ethoxycarbonyl-4,5,6,7-tetrahydro-benzo[d]thiazole, 4,5,6,7-Tetrahydro-2-methyl-5-benzothiazolecarboxylic acid ethyl ester
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.11952 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 372.66486 |
Chemical Identifiers
| CAS Number | 77528-64-4 |
|---|---|
| SMILES | CCOC(=O)C1CCC2=C(C1)N=C(S2)C |
Product Overview
Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate (CAS 77528-64-4), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: ethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate
Property Insights of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate
The XLogP value of 2.11952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate 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 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate?
The CAS number of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate is 77528-64-4.
What is the molecular formula of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate?
The molecular formula of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate is C11H15NO2S.
What is the molecular weight of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate?
The molecular weight of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate is 225.08 g/mol.
Where can I buy Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate?
You can request a quote for Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.