![ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/5011/501111-52-0.webp)
ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 501111-52-0) is a chemical compound with molecular formula C22H23N3O5S2 and molecular weight 473.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0594-0118, F1367-0009, ETHYL 2-(2-{[5-(4-METHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H23N3O5S2 |
|---|---|
| Molecular Weight | 473.11 g/mol |
| LogP | 4.593 |
| Topological Polar Surface Area | 103.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.1079 |
| Heavy Atoms | 32 |
| Complexity | 1107.4718 |
Chemical Identifiers
| CAS Number | 501111-52-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC |
Product Overview
ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 501111-52-0), with molecular formula C22H23N3O5S2 and molecular weight 473.11 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.593 indicates that ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 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 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-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 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 501111-52-0.
What is the molecular formula of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C22H23N3O5S2.
What is the molecular weight of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 473.11 g/mol.
Where can I buy ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.