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Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate (CAS 358782-89-5) is a chemical compound with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(4-{[(4-chlorophenyl)thio]methyl}benzoyl)-1-piperazinecarboxylate, ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate, ethyl 4-(4-(((4-chlorophenyl)thio)methyl)benzoyl)piperazine-1-carboxylate, 4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester, ethyl 4-[(4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)carbonyl]piperazine-1-carboxylate
| Molecular Formula | C21H23ClN2O3S |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.5466 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1118 |
| Heavy Atoms | 28 |
| Complexity | 803.40533 |
Chemical Identifiers
| CAS Number | 358782-89-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl |
Product Overview
Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate (CAS 358782-89-5), with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol. IUPAC: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate
The XLogP value of 4.5466 indicates that Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-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 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate is 358782-89-5.
What is the molecular formula of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate is C21H23ClN2O3S.
What is the molecular weight of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate is 418.11 g/mol.
Where can I buy Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.