![ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate structure](/static/products/112/112100-97-7.webp)
ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
TL;DR: ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 112100-97-7) is a chemical compound with molecular formula C24H31N3O2S2 and molecular weight 457.18576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-benzyl-2-(cyclohexylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-(3-cyclohexylthioureido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-(cyclohexylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C24H31N3O2S2 |
| Molecular Weight | 457.18576 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.18576 Da |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC4CCCCC4 |
| InChIKey | LQYSPPSIICDEFG-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Property Insights of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
The XLogP value of 5.5 indicates that ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)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-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The CAS number of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 112100-97-7.
What is the molecular formula of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular formula of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is C24H31N3O2S2.
What is the molecular weight of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular weight of ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 457.18576 g/mol.
Where can I buy ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
You can request a quote for ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)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-[(cyclohexylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 6-benzyl-2-[(cyclohexylcarbamothioyl)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.