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[(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate
TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate (CAS 1004183-50-9) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] thiophene-2-carboxylate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate|[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] thiophene-2-carboxylate|EN300-26686300|Z18451210
Technical Specifications
| Molecular Formula | C13H14N2O3S |
| Molecular Weight | 278.0725 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 Da |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
| SMILES | C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CS2 |
| InChIKey | WOBHFVHKCSAHTG-UHFFFAOYSA-N |
Chemical Property Profile of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate
Property Insights of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate has 1 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 [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate?
The CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate is 1004183-50-9.
What is the molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate?
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate is C13H14N2O3S.
What is the molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate?
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate is 278.0725 g/mol.
Where can I buy [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate?
You can request a quote for [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for [(1-Cyanocyclopentyl)carbamoyl]methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.