2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 257610-86-9) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 4-O-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, 8529AD, BIM-0029975.P001, 2-(tert-Butyl) 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, AB00095535-01
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.77072 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 499.47687 |
Chemical Identifiers
| CAS Number | 257610-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)N |
Product Overview
2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 257610-86-9), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 2.77072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate 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 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 257610-86-9.
What is the molecular formula of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is C13H19NO4S.
What is the molecular weight of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 285.10 g/mol.
Where can I buy 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-Tert-butyl 4-ethyl 5-amino-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 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.