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Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate
TL;DR: Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate (CAS 640715-65-7) is a chemical compound with molecular formula C17H21Cl2NO3S and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
Also Known As: ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate, ethyl 1-(2-((2,6-dichlorobenzyl)thio)acetyl)piperidine-4-carboxylate, ethyl 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
| Molecular Formula | C17H21Cl2NO3S |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 4.0283 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.06192 |
| Heavy Atoms | 24 |
| Complexity | 568.9484 |
Chemical Identifiers
| CAS Number | 640715-65-7 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)CSCC2=C(C=CC=C2Cl)Cl |
Product Overview
Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate (CAS 640715-65-7), with molecular formula C17H21Cl2NO3S and molecular weight 389.06 g/mol. IUPAC: ethyl 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate
Property Insights of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate
The XLogP value of 4.0283 indicates that Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate has 0 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 Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate?
The CAS number of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate is 640715-65-7.
What is the molecular formula of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate?
The molecular formula of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate is C17H21Cl2NO3S.
What is the molecular weight of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate?
The molecular weight of Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate is 389.06 g/mol.
Where can I buy Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate?
You can request a quote for Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}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 Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-{[(2,6-dichlorobenzyl)sulfanyl]acetyl}piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.