N-(Benzoyloxy)-N-(2-methylpropyl)nitramide
TL;DR: N-(Benzoyloxy)-N-(2-methylpropyl)nitramide (CAS 92844-60-5) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methylpropyl(nitro)amino] benzoate
Also Known As: [2-methylpropyl(nitro)amino] benzoate|N-(Benzoyloxy)-N-(2-methylpropyl)nitramide|N-isobutyl-N-nitro-O-benzoylhydroxylamine
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 92844-60-5 |
|---|---|
| SMILES | CC(C)CN([N+](=O)[O-])OC(=O)C1=CC=CC=C1 |
| InChIKey | XHDXYMBRPVPFHJ-UHFFFAOYSA-N |
Product Overview
N-(Benzoyloxy)-N-(2-methylpropyl)nitramide (CAS 92844-60-5), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: [2-methylpropyl(nitro)amino] benzoate.
Chemical Property Profile of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide
Property Insights of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide
The XLogP value of 3.7 indicates that N-(Benzoyloxy)-N-(2-methylpropyl)nitramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Benzoyloxy)-N-(2-methylpropyl)nitramide. Following Lipinski's Rule of Five, N-(Benzoyloxy)-N-(2-methylpropyl)nitramide has 0 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 N-(Benzoyloxy)-N-(2-methylpropyl)nitramide?
The CAS number of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide is 92844-60-5.
What is the molecular formula of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide?
The molecular formula of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide is C11H14N2O4.
What is the molecular weight of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide?
The molecular weight of N-(Benzoyloxy)-N-(2-methylpropyl)nitramide is 238.10 g/mol.
Where can I buy N-(Benzoyloxy)-N-(2-methylpropyl)nitramide?
You can request a quote for N-(Benzoyloxy)-N-(2-methylpropyl)nitramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Benzoyloxy)-N-(2-methylpropyl)nitramide?
Yes, KEHONG BIO provides custom synthesis services for N-(Benzoyloxy)-N-(2-methylpropyl)nitramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.