![[2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate structure](/static/products/3801/380188-99-8.webp)
[2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate
TL;DR: [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate (CAS 380188-99-8) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate
Also Known As: [2-(cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate, AB00710878-01, 2-(Cyclopropylamino)-2-oxoethyl 3-methyl-4-nitrobenzoate
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.33862 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 565.88 |
Chemical Identifiers
| CAS Number | 380188-99-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2CC2)[N+](=O)[O-] |
Product Overview
[2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate (CAS 380188-99-8), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: [2-(cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate.
Chemical Property Profile of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate
Property Insights of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate
The XLogP value of 1.33862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate. Following Lipinski's Rule of Five, [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate?
The CAS number of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate is 380188-99-8.
What is the molecular formula of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate?
The molecular formula of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate is C13H14N2O5.
What is the molecular weight of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate?
The molecular weight of [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate is 278.09 g/mol.
Where can I buy [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate?
You can request a quote for [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Cyclopropylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.