![ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/6631/663168-80-7.webp)
ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 663168-80-7) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(2-oxobenzo[d]oxazol-3(2H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[2-(2-oxo-3-hydrobenzoxazol-3-yl)acetylamino]-4,5,6,7-tetrahydrobenzo[ b]thiophene-3-carboxylate
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.3502 |
| Topological Polar Surface Area | 90.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 1107.6869 |
Chemical Identifiers
| CAS Number | 663168-80-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4OC3=O |
Product Overview
ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 663168-80-7), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.3502 indicates that ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 663168-80-7.
What is the molecular formula of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C20H20N2O5S.
What is the molecular weight of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 400.11 g/mol.
Where can I buy ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.