4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
TL;DR: 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester (CAS 166516-86-5) is a chemical compound with molecular formula C9H17NO2S and molecular weight 203.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-tert-butyl-1,3-thiazolidine-4-carboxylate
Also Known As: phenyl 2-aminobenzyl ether, Methyl 2-tert-butyl-1,3-thiazolidine-4-carboxylate, 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester, Methyl 2-(tert-butyl)thiazolidine-4-carboxylate, Thiazolidine-4-carboxylic acid, 2-t-butyl-, methyl ester
| Molecular Formula | C9H17NO2S |
|---|---|
| Molecular Weight | 203.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.098 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 166516-86-5 |
|---|---|
| SMILES | CC(C)(C)C1NC(CS1)C(=O)OC |
| InChIKey | UHABWJACUPYRDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester (CAS 166516-86-5), with molecular formula C9H17NO2S and molecular weight 203.10 g/mol. IUPAC: methyl 2-tert-butyl-1,3-thiazolidine-4-carboxylate.
Chemical Property Profile of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
Property Insights of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester. Following Lipinski's Rule of Five, 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester has 1 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 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester?
The CAS number of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester is 166516-86-5.
What is the molecular formula of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester?
The molecular formula of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester is C9H17NO2S.
What is the molecular weight of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester?
The molecular weight of 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester is 203.10 g/mol.
Where can I buy 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester?
You can request a quote for 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.