![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate structure](/static/products/878/878083-54-6.png)
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
TL;DR: [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate (CAS 878083-54-6) is a chemical compound with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate|[(1-CYANOCYCLOHEXYL)CARBAMOYL]METHYL 2-AMINO-5-NITROBENZOATE|EN300-1203205
| Molecular Formula | C16H18N4O5 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 1.67648 |
| Topological Polar Surface Area | 148.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.12772 |
| Heavy Atoms | 25 |
| Complexity | 734.5309 |
Chemical Identifiers
| CAS Number | 878083-54-6 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N |
Product Overview
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate (CAS 878083-54-6), with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate.
Chemical Property Profile of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
Property Insights of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
The XLogP value of 1.67648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate. The TPSA of 148.35 Ų indicates high polarity, suggesting [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate has 2 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 [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate?
The CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate is 878083-54-6.
What is the molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate?
The molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate is C16H18N4O5.
What is the molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate?
The molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate is 346.13 g/mol.
Where can I buy [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate?
You can request a quote for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.