![[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate structure](/static/products/876/876670-18-7.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate (CAS 876670-18-7) is a chemical compound with molecular formula C18H20F2N2O5 and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate|EN300-26686716
| Molecular Formula | C18H20F2N2O5 |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 2.79608 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.13403 |
| Heavy Atoms | 27 |
| Complexity | 726.95245 |
Chemical Identifiers
| CAS Number | 876670-18-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OC(F)F |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate (CAS 876670-18-7), with molecular formula C18H20F2N2O5 and molecular weight 382.13 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
The XLogP value of 2.79608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate has 1 hydrogen bond donor(s) and 6 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)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is 876670-18-7.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is C18H20F2N2O5.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is 382.13 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-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)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(difluoromethoxy)-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.