![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate structure](/static/products/874/874636-06-3.png)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate (CAS 874636-06-3) is a chemical compound with molecular formula C17H19BrN2O3 and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-bromobenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-bromobenzoate|EN300-26680267
| Molecular Formula | C17H19BrN2O3 |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 3.29078 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.05792 |
| Heavy Atoms | 23 |
| Complexity | 632.9708 |
Chemical Identifiers
| CAS Number | 874636-06-3 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC=CC=C1Br)C2(CCCCC2)C#N |
Product Overview
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate (CAS 874636-06-3), with molecular formula C17H19BrN2O3 and molecular weight 378.06 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-bromobenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate
The XLogP value of 3.29078 indicates that [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate 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 2-bromobenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate 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 2-bromobenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate is 874636-06-3.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate is C17H19BrN2O3.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate is 378.06 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate 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 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.