2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 445007-56-7) is a chemical compound with molecular formula C19H22N2O5S and molecular weight 390.12 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 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
Also Known As: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate, 2-tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate, 2-tert-butyl 4-ethyl 3-methyl-5-[(pyridin-4-ylcarbonyl)amino]thiophene-2,4-dicarboxylate, 2-tert-butyl 4-ethyl 5-(isonicotinamido)-3-methylthiophene-2,4-dicarboxylate, tert-butyl 4-(ethoxycarbonyl)-3-methyl-5-(4-pyridylcarbonylamino)thiophene-2-c arboxylate
| Molecular Formula | C19H22N2O5S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.83582 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.12494 |
| Heavy Atoms | 27 |
| Complexity | 852.9752 |
Chemical Identifiers
| CAS Number | 445007-56-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC=NC=C2 |
Product Overview
2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 445007-56-7), with molecular formula C19H22N2O5S and molecular weight 390.12 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.83582 indicates that 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-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 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate is 445007-56-7.
What is the molecular formula of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate is C19H22N2O5S.
What is the molecular weight of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate is 390.12 g/mol.
Where can I buy 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-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-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl 4-ethyl 5-(isonicotinoylamino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.