2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 438542-27-9) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate, 2-O-methyl 4-O-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate, 5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid 2-methyl ester 4-propyl ester, 2-Methoxy-5-[2-(3,4,5-trimethylphenyl)ethenyl]phenol, 2-Methyl 4-propyl 5-amino-3-methyl-2,4-thiophenedicarboxylate
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 438542-27-9 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)N |
| InChIKey | IFISJQMZJNEHMG-UHFFFAOYSA-N |
Product Overview
2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 438542-27-9), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: 2-O-methyl 4-O-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.1 indicates that 2-Methyl 4-propyl 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 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-Methyl 4-propyl 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-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 438542-27-9.
What is the molecular formula of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate is C11H15NO4S.
What is the molecular weight of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 257.07 g/mol.
Where can I buy 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-Methyl 4-propyl 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-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.