![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate structure](/static/products/121/1211714-03-2.webp)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate (CAS 1211714-03-2) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methoxybenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methoxybenzoate|EN300-26680307|Z18353110
Technical Specifications
| Molecular Formula | C18H22N2O4 |
| Molecular Weight | 330.15796 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.15796 Da |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
| SMILES | CN(C(=O)COC(=O)C1=CC(=CC=C1)OC)C2(CCCCC2)C#N |
| InChIKey | CAIQWZGSOZKYPX-UHFFFAOYSA-N |
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate has 0 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-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate is 1211714-03-2.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate is C18H22N2O4.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate is 330.15796 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.