Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
TL;DR: Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate (CAS 132651-46-8) is a chemical compound with molecular formula C11H14BrNO4S and molecular weight 334.9827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
Also Known As: diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate, 2,4-diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate, 2,4-diethyl5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate, ethyl 5-amino-3-(bromomethyl)-4-(ethoxycarbonyl)thiophene-2-carboxylate
Technical Specifications
| Molecular Formula | C11H14BrNO4S |
| Molecular Weight | 334.9827 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.9827 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | CCOC(=O)C1=C(SC(=C1CBr)C(=O)OCC)N |
| InChIKey | GICWCMSFGJCNHW-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
Property Insights of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
The XLogP value of 3.1 indicates that Diethyl 5-amino-3-(bromomethyl)thiophene-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 Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-amino-3-(bromomethyl)thiophene-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
What is the CAS number of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
The CAS number of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate is 132651-46-8.
What is the molecular formula of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate is C11H14BrNO4S.
What is the molecular weight of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate is 334.9827 g/mol.
Where can I buy Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.