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Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate
TL;DR: Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate (CAS 453557-58-9) is a chemical compound with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
Also Known As: ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate, Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate, Ethyl 1-((2-chlorothiazol-5-yl)methyl)piperidine-4-carboxylate, ethylchlorothiazolylmethylpiperidinecarboxylate, 6R-0632
| Molecular Formula | C12H17ClN2O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.5716 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06992 |
| Heavy Atoms | 18 |
| Complexity | 402.5366 |
Chemical Identifiers
| CAS Number | 453557-58-9 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CN=C(S2)Cl |
Product Overview
Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate (CAS 453557-58-9), with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol. IUPAC: ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate
Property Insights of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate
The XLogP value of 2.5716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate. With a topological polar surface area (TPSA) of 42.43 Ų, Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate 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 Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate?
The CAS number of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate is 453557-58-9.
What is the molecular formula of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate is C12H17ClN2O2S.
What is the molecular weight of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate is 288.07 g/mol.
Where can I buy Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.