![ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate structure](/static/products/1026/102623-30-3.webp)
ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
TL;DR: ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 102623-30-3) is a chemical compound with molecular formula C21H25N3O2S2 and molecular weight 415.13882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-benzyl-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 2-(3-allylthioureido)-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-{[(prop-2-enylamino)thioxomethyl]amino}-4,5,6,7-tetrahydrothi opheno[2,3-c]pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C21H25N3O2S2 |
| Molecular Weight | 415.13882 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.13882 Da |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NCC=C |
| InChIKey | RVBYWEFZVXQPOJ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Property Insights of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
The XLogP value of 4.4 indicates that ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The CAS number of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 102623-30-3.
What is the molecular formula of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular formula of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is C21H25N3O2S2.
What is the molecular weight of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular weight of ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 415.13882 g/mol.
Where can I buy ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
You can request a quote for ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 6-benzyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.