(Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate
TL;DR: (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate (CAS 346644-55-1) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
Also Known As: (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate, ethyl 1-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate, ethyl 1-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.2295 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 798.0659 |
Chemical Identifiers
| CAS Number | 346644-55-1 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)C(C)(C)C)/S2 |
Product Overview
(Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate (CAS 346644-55-1), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: ethyl 1-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate
Property Insights of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate
The XLogP value of 4.2295 indicates that (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate?
The CAS number of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate is 346644-55-1.
What is the molecular formula of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate?
The molecular formula of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate is C22H28N2O3S.
What is the molecular weight of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate?
The molecular weight of (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate is 400.18 g/mol.
Where can I buy (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate?
You can request a quote for (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 1-(5-(4-(tert-butyl)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.