ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
TL;DR: ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 685837-40-5) is a chemical compound with molecular formula C18H23N5O6S2 and molecular weight 469.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-({5-[(methylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate, ethyl 4-[4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, 4-ethoxycarbonyl-1-piperazinyl-p-{N-5-[(methylthio)methyl]-1,3,4-oxadiazol-2-ylcarbamoyl}phenyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C18H23N5O6S2 |
|---|---|
| Molecular Weight | 469.11 g/mol |
| LogP | 1.6477 |
| Topological Polar Surface Area | 134.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.10898 |
| Heavy Atoms | 31 |
| Complexity | 1016.3162 |
Chemical Identifiers
| CAS Number | 685837-40-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)CSC |
Product Overview
ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 685837-40-5), with molecular formula C18H23N5O6S2 and molecular weight 469.11 g/mol. IUPAC: ethyl 4-[4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
Property Insights of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
The XLogP value of 1.6477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate. The TPSA of 134.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 9 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-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is 685837-40-5.
What is the molecular formula of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is C18H23N5O6S2.
What is the molecular weight of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is 469.11 g/mol.
Where can I buy ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)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-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-((5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.