![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate structure](/static/products/131/1311665-43-6.webp)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate (CAS 1311665-43-6) is a chemical compound with molecular formula C18H21N3O5 and molecular weight 359.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate|EN300-26680641|Z25094878
Technical Specifications
| Molecular Formula | C18H21N3O5 |
| Molecular Weight | 359.14813 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.14813 Da |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N)[N+](=O)[O-] |
| InChIKey | CXRYJGPZQCSMFE-UHFFFAOYSA-N |
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate has 0 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 4-methyl-3-nitrobenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate is 1311665-43-6.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate is C18H21N3O5.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate is 359.14813 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.