Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate
TL;DR: Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate (CAS 96929-05-4) is a chemical compound with molecular formula C12H18N2O4S and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate
Also Known As: ETHYL 2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)THIAZOLE-4-CARBOXYLATE, Ethyl 2-(Boc-aminomethyl)thiazole-4-carboxylate, ETHYL 2-((TERT-BUTOXYCARBONYLAMINO)METHYL)THIAZOLE-4-CARBOXYLATE, ethyl 2-({[(tert-butoxy)carbonyl]amino}methyl)-1,3-thiazole-4-carboxylate, J3.181.406E
| Molecular Formula | C12H18N2O4S |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.3445 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.09872 |
| Heavy Atoms | 19 |
| Complexity | 450.82703 |
Chemical Identifiers
| CAS Number | 96929-05-4 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)CNC(=O)OC(C)(C)C |
Product Overview
Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate (CAS 96929-05-4), with molecular formula C12H18N2O4S and molecular weight 286.10 g/mol. IUPAC: ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate
Property Insights of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate
The XLogP value of 2.3445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)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-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate?
The CAS number of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate is 96929-05-4.
What is the molecular formula of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate?
The molecular formula of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate is C12H18N2O4S.
What is the molecular weight of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate?
The molecular weight of Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate is 286.10 g/mol.
Where can I buy Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate?
You can request a quote for Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)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-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.