Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 403843-99-2) is a chemical compound with molecular formula C19H27NO5S2 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(2-cyclohexylsulfanylacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: F1016-0745, 2,4-diethyl 5-[2-(cyclohexylsulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(2-cyclohexylsulfanylacetyl)amino]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-{[(cyclohexylthio)methyl]carbonylamino}-3-methyl-2,4-thiophenedicarboxylate
| Molecular Formula | C19H27NO5S2 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.41432 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.13306 |
| Heavy Atoms | 27 |
| Complexity | 679.8851 |
Chemical Identifiers
| CAS Number | 403843-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2CCCCC2 |
Product Overview
Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 403843-99-2), with molecular formula C19H27NO5S2 and molecular weight 413.13 g/mol. IUPAC: diethyl 5-[(2-cyclohexylsulfanylacetyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.41432 indicates that Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 7 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-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is 403843-99-2.
What is the molecular formula of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is C19H27NO5S2.
What is the molecular weight of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate is 413.13 g/mol.
Where can I buy Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 5-(2-(cyclohexylthio)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-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-(2-(cyclohexylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.