![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate structure](/static/products/111/1117729-36-8.webp)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate (CAS 1117729-36-8) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2,4-dihydroxybenzoate|EN300-26680270|Z25219330
Technical Specifications
| Molecular Formula | C17H20N2O5 |
| Molecular Weight | 332.1372 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.1372 Da |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
| SMILES | CN(C(=O)COC(=O)C1=C(C=C(C=C1)O)O)C2(CCCCC2)C#N |
| InChIKey | HKFDDJRQMRQCOC-UHFFFAOYSA-N |
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate has 2 hydrogen bond donor(s) and 6 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 2,4-dihydroxybenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate is 1117729-36-8.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate is C17H20N2O5.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate is 332.1372 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2,4-dihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.