![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate structure](/static/products/875/875317-33-2.png)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate (CAS 875317-33-2) is a chemical compound with molecular formula C17H19ClN2O3 and molecular weight 334.11 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-chlorobenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-chlorobenzoate|EN300-26680189
| Molecular Formula | C17H19ClN2O3 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 3.18168 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.10843 |
| Heavy Atoms | 23 |
| Complexity | 615.7208 |
Chemical Identifiers
| CAS Number | 875317-33-2 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC=C(C=C1)Cl)C2(CCCCC2)C#N |
Product Overview
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate (CAS 875317-33-2), with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-chlorobenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate
The XLogP value of 3.18168 indicates that [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 4 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-chlorobenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate is 875317-33-2.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate is C17H19ClN2O3.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate is 334.11 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate 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-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.