![ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate structure](/static/products/4948/494825-85-3.webp)
ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate (CAS 494825-85-3) is a chemical compound with molecular formula C21H20N4O4S4 and molecular weight 520.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-((5-((benzo[d]thiazol-2-ylthio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)(1,3,4-oxadiazol-2-ylthio)]acetylam ino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H20N4O4S4 |
|---|---|
| Molecular Weight | 520.04 g/mol |
| LogP | 5.55744 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 520.03674 |
| Heavy Atoms | 33 |
| Complexity | 1263.6609 |
Chemical Identifiers
| CAS Number | 494825-85-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(O2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate (CAS 494825-85-3), with molecular formula C21H20N4O4S4 and molecular weight 520.04 g/mol. IUPAC: ethyl 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 5.55744 indicates that ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate is 494825-85-3.
What is the molecular formula of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate is C21H20N4O4S4.
What is the molecular weight of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate is 520.04 g/mol.
Where can I buy ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.