![[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate structure](/static/products/848/848856-90-6.png)
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate
TL;DR: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate (CAS 848856-90-6) is a chemical compound with molecular formula C26H28FN3O6 and molecular weight 497.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate|EN300-26681065
| Molecular Formula | C26H28FN3O6 |
|---|---|
| Molecular Weight | 497.20 g/mol |
| LogP | 3.69348 |
| Topological Polar Surface Area | 117.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.19623 |
| Heavy Atoms | 36 |
| Complexity | 1139.3588 |
Chemical Identifiers
| CAS Number | 848856-90-6 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F)OC)C3(CCCCC3)C#N |
Product Overview
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate (CAS 848856-90-6), with molecular formula C26H28FN3O6 and molecular weight 497.20 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate.
Chemical Property Profile of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate
Property Insights of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate
The XLogP value of 3.69348 indicates that [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.96 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate?
The CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate is 848856-90-6.
What is the molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate?
The molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate is C26H28FN3O6.
What is the molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate?
The molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate is 497.20 g/mol.
Where can I buy [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate?
You can request a quote for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.