![ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate structure](/static/products/5011/501112-69-2.webp)
ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate
TL;DR: ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate (CAS 501112-69-2) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate
Also Known As: ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate, ethyl 4-[[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate, ethyl 4-((2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)methyl)benzoate, ethyl 4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate, ethyl 4-{[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.7168 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 928.6214 |
Chemical Identifiers
| CAS Number | 501112-69-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 |
Product Overview
ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate (CAS 501112-69-2), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: ethyl 4-[[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate.
Chemical Property Profile of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate
Property Insights of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate
The XLogP value of 2.7168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate has 1 hydrogen bond donor(s) and 8 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-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate?
The CAS number of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate is 501112-69-2.
What is the molecular formula of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate?
The molecular formula of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate is C19H18N4O4S.
What is the molecular weight of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate?
The molecular weight of ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate is 398.10 g/mol.
Where can I buy ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate?
You can request a quote for ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.