4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
TL;DR: 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 438616-27-4) 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.
4-O-tert-butyl 2-O-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, 4-O-tert-butyl 2-O-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, 4-tert-butyl2-ethyl5-amino-3-methylthiophene-2,4-dicarboxylate, 4-tert-Butyl 2-ethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate, 4-tert-Butyl 2-ethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate #
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 438616-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)C(=O)OC(C)(C)C)C |
| InChIKey | QYLQUYTXTCGZMY-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 438616-27-4), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 4-O-tert-butyl 2-O-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Property Insights of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.6 indicates that 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-Tert-butyl 2-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 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 438616-27-4.
What is the molecular formula of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is C13H19NO4S.
What is the molecular weight of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 285.10 g/mol.
Where can I buy 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 4-Tert-butyl 2-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 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl 2-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.