![Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate structure](/static/products/969/96929-06-5.png)
Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate
TL;DR: Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate (CAS 96929-06-5) is a chemical compound with molecular formula C13H20N2O4S and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate, J3.514.971F, (R)-Ethyl 2-(1-((tert-butoxycarbonyl)amino)ethyl)thiazole-4-carboxylate, (S)-Ethyl 2-(1-((tert-butoxycarbonyl)amino)ethyl)thiazole-4-carboxylate, 2-(1-(Boc-Amino)ethyl)-thiazole-4-carboxylic acid ethyl ester
| Molecular Formula | C13H20N2O4S |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.11438 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 96929-06-5 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)C(C)NC(=O)OC(C)(C)C |
| InChIKey | AAJQVLPQVMJOPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate (CAS 96929-06-5), with molecular formula C13H20N2O4S and molecular weight 300.11 g/mol. IUPAC: ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate
Property Insights of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 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-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate?
The CAS number of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate is 96929-06-5.
What is the molecular formula of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate?
The molecular formula of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate is C13H20N2O4S.
What is the molecular weight of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate?
The molecular weight of Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate is 300.11 g/mol.
Where can I buy Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate?
You can request a quote for Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.