![ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate structure](/static/products/851/851860-84-9.png)
ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate
TL;DR: ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate (CAS 851860-84-9) is a chemical compound with molecular formula C21H19FN4O5S and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate, ethyl 4-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((5-((2-fluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, ETHYL 4-{2-[(5-{[(2-FLUOROPHENYL)FORMAMIDO]METHYL}-1,3,4-OXADIAZOL-2-YL)SULFANYL]ACETAMIDO}BENZOATE
| Molecular Formula | C21H19FN4O5S |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 3.0462 |
| Topological Polar Surface Area | 123.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.10602 |
| Heavy Atoms | 32 |
| Complexity | 1103.5792 |
Chemical Identifiers
| CAS Number | 851860-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F |
Product Overview
ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate (CAS 851860-84-9), with molecular formula C21H19FN4O5S and molecular weight 458.11 g/mol. IUPAC: ethyl 4-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate
Property Insights of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate
The XLogP value of 3.0462 indicates that ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate has 2 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-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate is 851860-84-9.
What is the molecular formula of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate is C21H19FN4O5S.
What is the molecular weight of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate is 458.11 g/mol.
Where can I buy ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)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-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.