![[(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate structure](/static/products/926/926110-69-2.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate (CAS 926110-69-2) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-nitrobenzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-nitrobenzoate|MLS001098010|SMR000716069|EN300-26686490
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.09428 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 689.1984 |
Chemical Identifiers
| CAS Number | 926110-69-2 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate (CAS 926110-69-2), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-nitrobenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate
The XLogP value of 2.09428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate 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 2-nitrobenzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate is 926110-69-2.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate is C16H17N3O5.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate is 331.12 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate 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 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.