4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate (CAS 839697-20-0) is a chemical compound with molecular formula C14H19NO5S and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-(2-methylpropanoylamino)thiophene-2,4-dicarboxylate
Also Known As: AP-970/43375952, 4-ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate, 4-O-ethyl 2-O-methyl 3-methyl-5-(2-methylpropanoylamino)thiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 3-methyl-5-[(2-methylpropanoyl)amino]thiophene-2,4-dicarboxylate
| Molecular Formula | C14H19NO5S |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.61432 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0984 |
| Heavy Atoms | 21 |
| Complexity | 561.95575 |
Chemical Identifiers
| CAS Number | 839697-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(C)C |
Product Overview
4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate (CAS 839697-20-0), with molecular formula C14H19NO5S and molecular weight 313.10 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-(2-methylpropanoylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 2.61432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate 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-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate is 839697-20-0.
What is the molecular formula of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate is C14H19NO5S.
What is the molecular weight of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate is 313.10 g/mol.
Where can I buy 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl 2-methyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.