Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate
TL;DR: Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate (CAS 132651-59-3) is a chemical compound with molecular formula C14H19N3O2S and molecular weight 293.1198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-4-cyano-3-(piperidin-1-ylmethyl)thiophene-2-carboxylate
Also Known As: Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate, Ethyl 5-amino-4-cyano-3-(1-piperidylmethyl)thiophene-2-carboxylate, ethyl 5-amino-4-cyano-3-(piperidin-1-ylmethyl)thiophene-2-carboxylate, ethyl 5-amino-4-cyano-3-[(piperidin-1-yl)methyl]thiophene-2-carboxylate
Technical Specifications
| Molecular Formula | C14H19N3O2S |
| Molecular Weight | 293.1198 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1198 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCCCC2 |
| InChIKey | BMCJWTLICJUYKV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate
Property Insights of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate 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 Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate?
The CAS number of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate is 132651-59-3.
What is the molecular formula of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate?
The molecular formula of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate is C14H19N3O2S.
What is the molecular weight of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate?
The molecular weight of Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate is 293.1198 g/mol.
Where can I buy Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate?
You can request a quote for Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-amino-4-cyano-3-(1-piperidinylmethyl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.