![Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate structure](/static/products/122/1223171-29-6.webp)
Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate
TL;DR: Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate (CAS 1223171-29-6) 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.
methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate
Also Known As: methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate, METHYL 4-{[(1-CYANOCYCLOHEXYL)(METHYL)CARBAMOYL]METHOXY}BENZOATE
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 | 496.0 |
| SMILES | CN(C(=O)COC1=CC=C(C=C1)C(=O)OC)C2(CCCCC2)C#N |
| InChIKey | UCEYIIYGKCRLGL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate
Property Insights of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate 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 Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate?
The CAS number of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate is 1223171-29-6.
What is the molecular formula of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate?
The molecular formula of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate is C18H22N2O4.
What is the molecular weight of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate?
The molecular weight of Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate is 330.15796 g/mol.
Where can I buy Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate?
You can request a quote for Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.