![ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate structure](/static/products/5011/501111-47-3.webp)
ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate
TL;DR: ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate (CAS 501111-47-3) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate
Also Known As: ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate, Ethyl 4-[[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate, ethyl 4-((2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)methyl)benzoate, ethyl 4-({2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]acetylamino}methyl)b enzoate
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 3.3304 |
| Topological Polar Surface Area | 103.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 986.6362 |
Chemical Identifiers
| CAS Number | 501111-47-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC |
Product Overview
ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate (CAS 501111-47-3), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: ethyl 4-[[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate.
Chemical Property Profile of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate
Property Insights of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate
The XLogP value of 3.3304 indicates that ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}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-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate?
The CAS number of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate is 501111-47-3.
What is the molecular formula of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate?
The molecular formula of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate is C21H21N3O5S.
What is the molecular weight of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate?
The molecular weight of ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate is 427.12 g/mol.
Where can I buy ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate?
You can request a quote for ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}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-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.