![diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/4038/403845-02-3.webp)
diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 403845-02-3) is a chemical compound with molecular formula C20H20N2O6S2 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ACETAMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate, diethyl 5-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C20H20N2O6S2 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.28192 |
| Topological Polar Surface Area | 107.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.0763 |
| Heavy Atoms | 30 |
| Complexity | 1055.3466 |
Chemical Identifiers
| CAS Number | 403845-02-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3O2 |
Product Overview
diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 403845-02-3), with molecular formula C20H20N2O6S2 and molecular weight 448.08 g/mol. IUPAC: diethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.28192 indicates that diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.73 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate 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 diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is 403845-02-3.
What is the molecular formula of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is C20H20N2O6S2.
What is the molecular weight of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is 448.08 g/mol.
Where can I buy diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(2-(benzo[d]oxazol-2-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.