![Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate structure](/static/products/121/1211111-55-5.webp)
Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate
TL;DR: Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate (CAS 1211111-55-5) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoate
Also Known As: methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate, methyl 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoate
Technical Specifications
| Molecular Formula | C17H20N2O4 |
| Molecular Weight | 316.1423 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.1423 Da |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
| SMILES | COC(=O)C1=CC=CC=C1OCC(=O)NC2(CCCCC2)C#N |
| InChIKey | FXRINBUJTGANIC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate
Property Insights of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate 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 Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate?
The CAS number of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate is 1211111-55-5.
What is the molecular formula of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate?
The molecular formula of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate is C17H20N2O4.
What is the molecular weight of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate?
The molecular weight of Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate is 316.1423 g/mol.
Where can I buy Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate?
You can request a quote for Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[(1-cyanocyclohexyl)carbamoyl]methoxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.